5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide

C15H15Cl2N3O — CID 107194513

IUPAC5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1cccc(Cl)c1)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C15H15Cl2N3O/c1-20(8-9-3-2-4-10(16)5-9)14-12(15(19)21)6-11(18)7-13(14)17/h2-7H,8,18H2,1H3,(H2,19,21)
InChIKeyJFPQEHZSYQOKEI-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.31
Rot. Bonds4

About 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide

5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide (PubChem CID 107194513) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
PubChem CID107194513
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1cccc(Cl)c1)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C15H15Cl2N3O/c1-20(8-9-3-2-4-10(16)5-9)14-12(15(19)21)6-11(18)7-13(14)17/h2-7H,8,18H2,1H3,(H2,19,21)
InChIKeyJFPQEHZSYQOKEI-UHFFFAOYSA-N
XLogP3.31
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 107193614
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
5-amino-2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-chlorobenzamide
CID 107195251
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
methyl 5-amino-3-chloro-2-[methyl(pyridin-3-ylmethyl)amino]benzoate
CID 107194183
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
2-chloro-4-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948291
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide (CID 107194513) is 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide is CN(Cc1cccc(Cl)c1)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide?
The InChIKey is JFPQEHZSYQOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(8-9-3-2-4-10(16)5-9)14-12(15(19)21)6-11(18)7-13(14)17/h2-7H,8,18H2,1H3,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide?
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide has a molecular weight of 324.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 107194513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).