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

C24H17Cl2NO2 — CID 95733474

IUPAC5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C24H17Cl2NO2/c25-16-12-13-22(20(14-16)23(28)15-6-2-1-3-7-15)27-24(29)19-10-4-9-18-17(19)8-5-11-21(18)26/h1-14,23,28H,(H,27,29)/t23-/m0/s1
InChIKeyQZSMQRNPWCNBCU-QHCPKHFHSA-N
MW422.31 g/mol
LogP6.48
Rot. Bonds4

About 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide

5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 95733474) has the molecular formula C24H17Cl2NO2 and a molecular weight of 422.31 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
PubChem CID95733474
Molecular FormulaC24H17Cl2NO2
Molecular Weight422.31 g/mol
Exact Mass421.06
IUPAC Name5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C24H17Cl2NO2/c25-16-12-13-22(20(14-16)23(28)15-6-2-1-3-7-15)27-24(29)19-10-4-9-18-17(19)8-5-11-21(18)26/h1-14,23,28H,(H,27,29)/t23-/m0/s1
InChIKeyQZSMQRNPWCNBCU-QHCPKHFHSA-N
XLogP6.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.31
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
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
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
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
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569
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-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide (CID 95733474) is 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is QZSMQRNPWCNBCU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H17Cl2NO2/c25-16-12-13-22(20(14-16)23(28)15-6-2-1-3-7-15)27-24(29)19-10-4-9-18-17(19)8-5-11-21(18)26/h1-14,23,28H,(H,27,29)/t23-/m0/s1.
What are the key properties of 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 422.31 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 95733474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).