4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide

C16H16Cl2N2O — CID 43720989

IUPAC4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-4-3-5-13(17)8-11)20-15-9-12(16(21)19-2)6-7-14(15)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyVFAAKFVAAMMFFY-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide

4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 43720989) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
PubChem CID43720989
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-4-3-5-13(17)8-11)20-15-9-12(16(21)19-2)6-7-14(15)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyVFAAKFVAAMMFFY-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
CID 43721017
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
methyl 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzoate
CID 82776037
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide (CID 43720989) is 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is VFAAKFVAAMMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(11-4-3-5-13(17)8-11)20-15-9-12(16(21)19-2)6-7-14(15)18/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide?
4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 43720989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).