4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide

C15H14Cl2N2O — CID 82793892

IUPAC4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-3-2-4-10(5-9)8-19-15(20)11-6-12(16)14(18)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyUGOLBZQJSNDDKO-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.81
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide

4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 82793892) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
PubChem CID82793892
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-3-2-4-10(5-9)8-19-15(20)11-6-12(16)14(18)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyUGOLBZQJSNDDKO-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide (CID 82793892) is 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is UGOLBZQJSNDDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-3-2-4-10(5-9)8-19-15(20)11-6-12(16)14(18)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 309.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 82793892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).