4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide

C15H14Cl2N2O — CID 106816294

IUPAC4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-2-3-10(6-13(9)17)8-19-14-7-11(15(18)20)4-5-12(14)16/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyWTRUXJNQPRSYAX-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.01
Rot. Bonds4

About 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide

4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide (PubChem CID 106816294) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
PubChem CID106816294
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-2-3-10(6-13(9)17)8-19-14-7-11(15(18)20)4-5-12(14)16/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyWTRUXJNQPRSYAX-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
methyl 3-[(3-chloro-4-methylphenyl)methylamino]-4-methylbenzoate
CID 106816300
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
methyl 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzoate
CID 105401244
3-chloro-4-methylbenzamide;ethane
CID 162191867

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide (CID 106816294) is 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide is Cc1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide?
The InChIKey is WTRUXJNQPRSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-2-3-10(6-13(9)17)8-19-14-7-11(15(18)20)4-5-12(14)16/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide?
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide has a molecular weight of 309.20 g/mol, XLogP of 4.01, 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-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 106816294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).