5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide

C17H19ClN2O — CID 102705159

IUPAC5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)c2cccc(Cl)c2)cc1N
InChIInChI=1S/C17H19ClN2O/c1-10-7-11(2)16(19)9-15(10)17(21)20-12(3)13-5-4-6-14(18)8-13/h4-9,12H,19H2,1-3H3,(H,20,21)
InChIKeyYBEZEMAOSFKOPX-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.03
Rot. Bonds3

About 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide

5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide (PubChem CID 102705159) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
PubChem CID102705159
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)c2cccc(Cl)c2)cc1N
InChIInChI=1S/C17H19ClN2O/c1-10-7-11(2)16(19)9-15(10)17(21)20-12(3)13-5-4-6-14(18)8-13/h4-9,12H,19H2,1-3H3,(H,20,21)
InChIKeyYBEZEMAOSFKOPX-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.03
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

4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide (CID 102705159) is 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NC(C)c2cccc(Cl)c2)cc1N.
What is the InChIKey of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide?
The InChIKey is YBEZEMAOSFKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-10-7-11(2)16(19)9-15(10)17(21)20-12(3)13-5-4-6-14(18)8-13/h4-9,12H,19H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide?
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).