2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H13Cl2NO2 — CID 63311480

IUPAC2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-12-4-5-13(14(17)7-12)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyLQZAXJCDNPBZIG-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.42
Rot. Bonds4

About 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 63311480) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID63311480
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-12-4-5-13(14(17)7-12)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyLQZAXJCDNPBZIG-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 63311148
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 55749266
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 63311480) is 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is LQZAXJCDNPBZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-4-5-13(14(17)7-12)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 63311480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).