5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide

C16H16ClNO3 — CID 63311043

IUPAC5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO3/c1-21-15-6-5-13(17)8-14(15)16(20)18-9-11-3-2-4-12(7-11)10-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyMVSVHWZUWTVJGE-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.77
Rot. Bonds5

About 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide

5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide (PubChem CID 63311043) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
PubChem CID63311043
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO3/c1-21-15-6-5-13(17)8-14(15)16(20)18-9-11-3-2-4-12(7-11)10-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyMVSVHWZUWTVJGE-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 79589957
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide (CID 63311043) is 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1cccc(CO)c1.
What is the InChIKey of 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is MVSVHWZUWTVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-21-15-6-5-13(17)8-14(15)16(20)18-9-11-3-2-4-12(7-11)10-19/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 63311043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).