N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide

C24H18ClNO2 — CID 50882541

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H18ClNO2/c25-18-13-14-22(21(15-18)23(27)17-8-2-1-3-9-17)26-24(28)20-12-6-10-16-7-4-5-11-19(16)20/h1-15,23,27H,(H,26,28)
InChIKeyGAOCBXSRLFVXSC-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.83
Rot. Bonds4

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 50882541) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
PubChem CID50882541
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H18ClNO2/c25-18-13-14-22(21(15-18)23(27)17-8-2-1-3-9-17)26-24(28)20-12-6-10-16-7-4-5-11-19(16)20/h1-15,23,27H,(H,26,28)
InChIKeyGAOCBXSRLFVXSC-UHFFFAOYSA-N
XLogP5.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733477
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
4-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 95733480
4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 50882559
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
CID 50882577
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide (CID 50882541) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is GAOCBXSRLFVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2/c25-18-13-14-22(21(15-18)23(27)17-8-2-1-3-9-17)26-24(28)20-12-6-10-16-7-4-5-11-19(16)20/h1-15,23,27H,(H,26,28).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 50882541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).