N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

C23H19ClN2O3 — CID 68772752

IUPACN-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1c2ccccc2C(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C23H19ClN2O3/c24-17-5-3-4-16(12-17)13-25-22(28)21-19-6-1-2-7-20(19)23(29)26(21)14-15-8-10-18(27)11-9-15/h1-12,21,27H,13-14H2,(H,25,28)
InChIKeyOGIYBHNOSMFGRX-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.06
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68772752) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68772752
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1c2ccccc2C(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C23H19ClN2O3/c24-17-5-3-4-16(12-17)13-25-22(28)21-19-6-1-2-7-20(19)23(29)26(21)14-15-8-10-18(27)11-9-15/h1-12,21,27H,13-14H2,(H,25,28)
InChIKeyOGIYBHNOSMFGRX-UHFFFAOYSA-N
XLogP4.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-[(3-cyanophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68772206
N-[(3-chlorophenyl)methyl]-2-(3-hydroxy-2,2-dimethylpropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 24967382
2-[(4-chlorophenyl)methyl]-5-hydroxy-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 68772320
N-[(3-cyano-4-fluorophenyl)methyl]-2-[(3,4-difluorophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68774567
N-[(4-cyanophenyl)methyl]-3-oxo-2-[(4-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 68774221
2-[(3-cyanophenyl)methyl]-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 68772312
2-[2-(4-chlorophenyl)ethyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide
CID 15996201
N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68851424
(1S)-N-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096579
N-benzyl-2-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68775114
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92714956

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 68772752) is N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is O=C(NCc1cccc(Cl)c1)C1c2ccccc2C(=O)N1Cc1ccc(O)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is OGIYBHNOSMFGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-17-5-3-4-16(12-17)13-25-22(28)21-19-6-1-2-7-20(19)23(29)26(21)14-15-8-10-18(27)11-9-15/h1-12,21,27H,13-14H2,(H,25,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68772752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).