3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

C15H13Cl3N2O — CID 61118649

IUPAC3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-20(8-9-2-4-11(16)5-3-9)15(21)10-6-12(17)14(18)13(19)7-10/h2-7H,8,19H2,1H3
InChIKeyWOYBZXQVMVWWHY-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.50
Rot. Bonds3

About 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 61118649) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID61118649
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-20(8-9-2-4-11(16)5-3-9)15(21)10-6-12(17)14(18)13(19)7-10/h2-7H,8,19H2,1H3
InChIKeyWOYBZXQVMVWWHY-UHFFFAOYSA-N
XLogP4.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (CID 61118649) is 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is WOYBZXQVMVWWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-20(8-9-2-4-11(16)5-3-9)15(21)10-6-12(17)14(18)13(19)7-10/h2-7H,8,19H2,1H3.
What are the key properties of 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 343.64 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61118649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).