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

C21H17Cl2NO3 — CID 50882360

IUPAC5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c1-27-19-10-8-15(23)12-17(19)21(26)24-18-9-7-14(22)11-16(18)20(25)13-5-3-2-4-6-13/h2-12,20,25H,1H3,(H,24,26)
InChIKeyFGPRPWJMHQWTAN-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.34
Rot. Bonds5

About 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide

5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide (PubChem CID 50882360) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
PubChem CID50882360
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC Name5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c1-27-19-10-8-15(23)12-17(19)21(26)24-18-9-7-14(22)11-16(18)20(25)13-5-3-2-4-6-13/h2-12,20,25H,1H3,(H,24,26)
InChIKeyFGPRPWJMHQWTAN-UHFFFAOYSA-N
XLogP5.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
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-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
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-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
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 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide (CID 50882360) is 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1.
What is the InChIKey of 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
The InChIKey is FGPRPWJMHQWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c1-27-19-10-8-15(23)12-17(19)21(26)24-18-9-7-14(22)11-16(18)20(25)13-5-3-2-4-6-13/h2-12,20,25H,1H3,(H,24,26).
What are the key properties of 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide?
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide has a molecular weight of 402.28 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 50882360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).