N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide

C21H18ClNO3 — CID 95557632

IUPACN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
InChIInChI=1S/C21H18ClNO3/c1-26-19-10-6-5-9-16(19)21(25)23-18-12-11-15(22)13-17(18)20(24)14-7-3-2-4-8-14/h2-13,20,24H,1H3,(H,23,25)/t20-/m0/s1
InChIKeyRMDSHMFCQQMUKD-FQEVSTJZSA-N
MW367.83 g/mol
LogP4.68
Rot. Bonds5

About N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide (PubChem CID 95557632) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
PubChem CID95557632
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
InChIInChI=1S/C21H18ClNO3/c1-26-19-10-6-5-9-16(19)21(25)23-18-12-11-15(22)13-17(18)20(24)14-7-3-2-4-8-14/h2-13,20,24H,1H3,(H,23,25)/t20-/m0/s1
InChIKeyRMDSHMFCQQMUKD-FQEVSTJZSA-N
XLogP4.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
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
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733477

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide (CID 95557632) is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
The InChIKey is RMDSHMFCQQMUKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-26-19-10-6-5-9-16(19)21(25)23-18-12-11-15(22)13-17(18)20(24)14-7-3-2-4-8-14/h2-13,20,24H,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide has a molecular weight of 367.83 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 95557632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).