3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide

C15H13Cl2FN2O — CID 102664463

IUPAC3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c16-12-6-10(15(19)21)2-3-11(12)8-20-7-9-1-4-14(18)13(17)5-9/h1-6,20H,7-8H2,(H2,19,21)
InChIKeySJOCKJYICPRQKV-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.52
Rot. Bonds5

About 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide

3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide (PubChem CID 102664463) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
PubChem CID102664463
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c16-12-6-10(15(19)21)2-3-11(12)8-20-7-9-1-4-14(18)13(17)5-9/h1-6,20H,7-8H2,(H2,19,21)
InChIKeySJOCKJYICPRQKV-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
CID 62537793
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzoic acid
CID 106468572
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
CID 102664164
methyl 4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzoate
CID 62537765
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
CID 61401068
3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
CID 106010810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide (CID 102664463) is 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide is NC(=O)c1ccc(CNCc2ccc(F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide?
The InChIKey is SJOCKJYICPRQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-12-6-10(15(19)21)2-3-11(12)8-20-7-9-1-4-14(18)13(17)5-9/h1-6,20H,7-8H2,(H2,19,21).
What are the key properties of 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide?
3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide has a molecular weight of 327.19 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 102664463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).