3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide

C16H16Cl2N2O — CID 60946254

IUPAC3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C16H16Cl2N2O/c1-10-3-4-12(7-15(10)19)16(21)20(2)9-11-5-13(17)8-14(18)6-11/h3-8H,9,19H2,1-2H3
InChIKeyHWBDRQGMYGRFLR-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.16
Rot. Bonds3

About 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide

3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 60946254) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
PubChem CID60946254
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C16H16Cl2N2O/c1-10-3-4-12(7-15(10)19)16(21)20(2)9-11-5-13(17)8-14(18)6-11/h3-8H,9,19H2,1-2H3
InChIKeyHWBDRQGMYGRFLR-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

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118649
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide (CID 60946254) is 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1N.
What is the InChIKey of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is HWBDRQGMYGRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-3-4-12(7-15(10)19)16(21)20(2)9-11-5-13(17)8-14(18)6-11/h3-8H,9,19H2,1-2H3.
What are the key properties of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide?
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-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 3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 60946254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).