3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide

C17H19ClN2O — CID 28713525

IUPAC3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCc2cccc(N)c2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-11-8-12(2)17(15(18)9-11)20-16(21)7-6-13-4-3-5-14(19)10-13/h3-5,8-10H,6-7,19H2,1-2H3,(H,20,21)
InChIKeyLTRLIUSCOIPBFZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.11
Rot. Bonds4

About 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide

3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide (PubChem CID 28713525) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
PubChem CID28713525
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCc2cccc(N)c2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-11-8-12(2)17(15(18)9-11)20-16(21)7-6-13-4-3-5-14(19)10-13/h3-5,8-10H,6-7,19H2,1-2H3,(H,20,21)
InChIKeyLTRLIUSCOIPBFZ-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.11
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

N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221853
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
N-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]-3-phenylpropanamide
CID 19187897
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
3-(3-aminophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 43309074
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249
N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 62367240
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide (CID 28713525) is 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCc2cccc(N)c2)c(Cl)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The InChIKey is LTRLIUSCOIPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-8-12(2)17(15(18)9-11)20-16(21)7-6-13-4-3-5-14(19)10-13/h3-5,8-10H,6-7,19H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide is sourced from PubChem (CID 28713525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).