2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide

C16H16Cl2N2O — CID 61118547

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
SMILESCc1cccc(N)c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10-4-3-5-14(19)15(10)16(21)20(2)9-11-6-7-12(17)13(18)8-11/h3-8H,9,19H2,1-2H3
InChIKeyFERSIQOJMJZQBJ-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.16
Rot. Bonds3

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide

2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide (PubChem CID 61118547) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
PubChem CID61118547
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
SMILESCc1cccc(N)c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10-4-3-5-14(19)15(10)16(21)20(2)9-11-6-7-12(17)13(18)8-11/h3-8H,9,19H2,1-2H3
InChIKeyFERSIQOJMJZQBJ-UHFFFAOYSA-N
XLogP4.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.16
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

2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
CID 61106536
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
2-amino-N,6-dimethyl-N-(2-phenylethyl)benzamide
CID 61108737
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide (CID 61118547) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide is Cc1cccc(N)c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide?
The InChIKey is FERSIQOJMJZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-4-3-5-14(19)15(10)16(21)20(2)9-11-6-7-12(17)13(18)8-11/h3-8H,9,19H2,1-2H3.
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide?
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide is sourced from PubChem (CID 61118547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).