4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide

C15H13Cl2FN2O — CID 81147765

IUPAC4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-19-15(21)10-3-4-11(16)14(7-10)20-8-9-2-5-13(18)12(17)6-9/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyPUODYOXSLWABAC-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.10
Rot. Bonds4

About 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide

4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide (PubChem CID 81147765) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
PubChem CID81147765
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-19-15(21)10-3-4-11(16)14(7-10)20-8-9-2-5-13(18)12(17)6-9/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyPUODYOXSLWABAC-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
methyl 3-[(3-bromo-4-fluorophenyl)methylamino]-4-chlorobenzoate
CID 43714769
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
methyl 4-chloro-3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685484
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide (CID 81147765) is 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
The InChIKey is PUODYOXSLWABAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-19-15(21)10-3-4-11(16)14(7-10)20-8-9-2-5-13(18)12(17)6-9/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide has a molecular weight of 327.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 81147765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).