N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide

C24H18FN3O3 — CID 45197070

IUPACN-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide
SMILESO=C(NCC1Cc2c(F)ccc(-c3ncccn3)c2O1)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C24H18FN3O3/c25-20-9-8-18(23-26-10-2-11-27-23)22-19(20)13-17(31-22)14-28-24(29)16-6-4-15(5-7-16)21-3-1-12-30-21/h1-12,17H,13-14H2,(H,28,29)
InChIKeyORFYESKBHOGHBB-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.28
Rot. Bonds5

About N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide

N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide (PubChem CID 45197070) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide
PubChem CID45197070
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC NameN-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide
SMILESO=C(NCC1Cc2c(F)ccc(-c3ncccn3)c2O1)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C24H18FN3O3/c25-20-9-8-18(23-26-10-2-11-27-23)22-19(20)13-17(31-22)14-28-24(29)16-6-4-15(5-7-16)21-3-1-12-30-21/h1-12,17H,13-14H2,(H,28,29)
InChIKeyORFYESKBHOGHBB-UHFFFAOYSA-N
XLogP4.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide with MolForge

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Related Compounds

Tnik-IN-3
CID 162641720
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(2-{[(R)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-4-ylamino)-methyl]-benzylamide
CID 10394119
N-(2-(1-methoxybutan-2-ylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 11293575
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-({4-[(tetrahydro-furan-2-ylmethyl)-amino]-pyrimidin-2-ylamino}-methyl)-benzylamide
CID 21045805
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-({4-[(tetrahydro-furan-2-ylmethyl)-amino]-pyrimidin-2-ylamino}-methyl)-benzylamide
CID 21045829
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(4-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 44347047
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(4-{[(R)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 44347048
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(2-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-4-ylamino)-methyl]-benzylamide
CID 44347085
(S)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866401
(S)-N-(4-aminobutyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866402
(S)-N-isobutyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886114
(S)-N-(cyclopropylmethyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886115

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide?
The IUPAC name of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide (CID 45197070) is N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide.
What is the SMILES notation for N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide?
The canonical SMILES for N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide is O=C(NCC1Cc2c(F)ccc(-c3ncccn3)c2O1)c1ccc(-c2ccco2)cc1.
What is the InChIKey of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide?
The InChIKey is ORFYESKBHOGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-20-9-8-18(23-26-10-2-11-27-23)22-19(20)13-17(31-22)14-28-24(29)16-6-4-15(5-7-16)21-3-1-12-30-21/h1-12,17H,13-14H2,(H,28,29).
What are the key properties of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide?
N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide has a molecular weight of 415.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)benzamide is sourced from PubChem (CID 45197070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).