2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C26H30ClFN2O2 — CID 42797644

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1c(F)cccc1Cl
InChIInChI=1S/C26H30ClFN2O2/c1-3-15-29(18-23-24(27)10-7-11-25(23)28)19-26(31)30(17-22-13-12-20(2)32-22)16-14-21-8-5-4-6-9-21/h4-13H,3,14-19H2,1-2H3
InChIKeyRURIAKCHUIRIDW-UHFFFAOYSA-N
MW456.99 g/mol
LogP5.86
Rot. Bonds11

About 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 42797644) has the molecular formula C26H30ClFN2O2 and a molecular weight of 456.99 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID42797644
Molecular FormulaC26H30ClFN2O2
Molecular Weight456.99 g/mol
Exact Mass456.20
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1c(F)cccc1Cl
InChIInChI=1S/C26H30ClFN2O2/c1-3-15-29(18-23-24(27)10-7-11-25(23)28)19-26(31)30(17-22-13-12-20(2)32-22)16-14-21-8-5-4-6-9-21/h4-13H,3,14-19H2,1-2H3
InChIKeyRURIAKCHUIRIDW-UHFFFAOYSA-N
XLogP5.86
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.99
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-butan-2-yl]-[(2,6-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117330
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128888
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
N-butan-2-yl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3542330
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797
2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128931
[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium
CID 7237808
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]propanoate
CID 7416856
ethyl (2R)-2-[3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 93117388
N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 7412289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 42797644) is 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is RURIAKCHUIRIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN2O2/c1-3-15-29(18-23-24(27)10-7-11-25(23)28)19-26(31)30(17-22-13-12-20(2)32-22)16-14-21-8-5-4-6-9-21/h4-13H,3,14-19H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 456.99 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 42797644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).