2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide

C16H16ClNO3 — CID 75381688

IUPAC2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
SMILESCOc1cccc(Cl)c1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H16ClNO3/c1-21-14-4-2-3-13(17)15(14)16(20)18-12-7-5-11(6-8-12)9-10-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyIKDKCPYBQRZOBZ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.14
Rot. Bonds5

About 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide

2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide (PubChem CID 75381688) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
PubChem CID75381688
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
SMILESCOc1cccc(Cl)c1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H16ClNO3/c1-21-14-4-2-3-13(17)15(14)16(20)18-12-7-5-11(6-8-12)9-10-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyIKDKCPYBQRZOBZ-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 141060915
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
CID 65433013
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922813
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
methyl (2S)-2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 23383932
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide?
The IUPAC name of 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide (CID 75381688) is 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide is COc1cccc(Cl)c1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide?
The InChIKey is IKDKCPYBQRZOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-21-14-4-2-3-13(17)15(14)16(20)18-12-7-5-11(6-8-12)9-10-19/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide?
2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide is sourced from PubChem (CID 75381688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).