2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide

C14H10Cl3NO — CID 17071308

IUPAC2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl3NO/c15-10-4-1-3-9(7-10)8-18-14(19)11-5-2-6-12(16)13(11)17/h1-7H,8H2,(H,18,19)
InChIKeyMIYBUTWBJMFWFB-UHFFFAOYSA-N
MW314.60 g/mol
LogP4.58
Rot. Bonds3

About 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide

2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide (PubChem CID 17071308) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
PubChem CID17071308
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl3NO/c15-10-4-1-3-9(7-10)8-18-14(19)11-5-2-6-12(16)13(11)17/h1-7H,8H2,(H,18,19)
InChIKeyMIYBUTWBJMFWFB-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
CID 23019985
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 4851105
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide (CID 17071308) is 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide is O=C(NCc1cccc(Cl)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide?
The InChIKey is MIYBUTWBJMFWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c15-10-4-1-3-9(7-10)8-18-14(19)11-5-2-6-12(16)13(11)17/h1-7H,8H2,(H,18,19).
What are the key properties of 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide?
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide has a molecular weight of 314.60 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 17071308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).