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

C24H17BrClNO2 — CID 95733477

IUPAC5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc2c(Br)cccc12
InChIInChI=1S/C24H17BrClNO2/c25-21-11-5-8-17-18(21)9-4-10-19(17)24(29)27-22-13-12-16(26)14-20(22)23(28)15-6-2-1-3-7-15/h1-14,23,28H,(H,27,29)/t23-/m1/s1
InChIKeyPXNHIHZDYCFTSO-HSZRJFAPSA-N
MW466.76 g/mol
LogP6.59
Rot. Bonds4

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

5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 95733477) has the molecular formula C24H17BrClNO2 and a molecular weight of 466.76 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
PubChem CID95733477
Molecular FormulaC24H17BrClNO2
Molecular Weight466.76 g/mol
Exact Mass465.01
IUPAC Name5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc2c(Br)cccc12
InChIInChI=1S/C24H17BrClNO2/c25-21-11-5-8-17-18(21)9-4-10-19(17)24(29)27-22-13-12-16(26)14-20(22)23(28)15-6-2-1-3-7-15/h1-14,23,28H,(H,27,29)/t23-/m1/s1
InChIKeyPXNHIHZDYCFTSO-HSZRJFAPSA-N
XLogP6.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.76
LogP ≤ 56.59
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
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
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
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
3-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide (CID 95733477) is 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is PXNHIHZDYCFTSO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H17BrClNO2/c25-21-11-5-8-17-18(21)9-4-10-19(17)24(29)27-22-13-12-16(26)14-20(22)23(28)15-6-2-1-3-7-15/h1-14,23,28H,(H,27,29)/t23-/m1/s1.
What are the key properties of 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide?
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 466.76 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 95733477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).