N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C34H37FN2O2 — CID 21047348

IUPACN-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3F)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C34H37FN2O2/c1-23-17-28-29(34(4,5)15-14-33(28,2)3)19-26(23)18-27-12-13-31(39-27)32(38)37(21-24-9-8-16-36-20-24)22-25-10-6-7-11-30(25)35/h6-13,16-17,19-20H,14-15,18,21-22H2,1-5H3
InChIKeyUSFGNKCNMVFWNA-UHFFFAOYSA-N
MW524.68 g/mol
LogP7.90
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 21047348) has the molecular formula C34H37FN2O2 and a molecular weight of 524.68 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID21047348
Molecular FormulaC34H37FN2O2
Molecular Weight524.68 g/mol
Exact Mass524.28
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3F)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C34H37FN2O2/c1-23-17-28-29(34(4,5)15-14-33(28,2)3)19-26(23)18-27-12-13-31(39-27)32(38)37(21-24-9-8-16-36-20-24)22-25-10-6-7-11-30(25)35/h6-13,16-17,19-20H,14-15,18,21-22H2,1-5H3
InChIKeyUSFGNKCNMVFWNA-UHFFFAOYSA-N
XLogP7.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.68
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide with MolForge

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Related Compounds

ALP-POS-02c6a514-32
CID 156906917
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
N-[(5-methylpyrazin-2-yl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 9910626
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-[(5-trifluoromethyl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21045807
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[(pyrimidin-2-ylamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21045817
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-(pyrimidin-2-ylaminomethyl)-benzylamide
CID 21045818
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21045833
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-(pyrimidin-2-ylaminomethyl)-benzylamide
CID 21045834
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-{[2-(2-methoxy-ethylamino)-pyrimidin-4-ylamino]-methyl}-benzylamide
CID 21047516
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-{[4-(3-methoxy-propylamino)-pyrimidin-2-ylamino]-methyl}-benzylamide
CID 21047534
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(5-fluoro-4-methyl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21047538
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(4-morpholin-4-yl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21047583

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 21047348) is N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3F)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is USFGNKCNMVFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN2O2/c1-23-17-28-29(34(4,5)15-14-33(28,2)3)19-26(23)18-27-12-13-31(39-27)32(38)37(21-24-9-8-16-36-20-24)22-25-10-6-7-11-30(25)35/h6-13,16-17,19-20H,14-15,18,21-22H2,1-5H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 524.68 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 21047348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).