N-(2-amino-6-chlorophenyl)-3-phenylpropanamide

C15H15ClN2O — CID 62084084

IUPACN-(2-amino-6-chlorophenyl)-3-phenylpropanamide
SMILESNc1cccc(Cl)c1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-12-7-4-8-13(17)15(12)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyONMPBXDDJFXDHF-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.49
Rot. Bonds4

About N-(2-amino-6-chlorophenyl)-3-phenylpropanamide

N-(2-amino-6-chlorophenyl)-3-phenylpropanamide (PubChem CID 62084084) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3-phenylpropanamide
PubChem CID62084084
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-amino-6-chlorophenyl)-3-phenylpropanamide
SMILESNc1cccc(Cl)c1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-12-7-4-8-13(17)15(12)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyONMPBXDDJFXDHF-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.49
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

3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
N-(2-amino-6-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 62085159
N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide
CID 62590078
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
CID 62083909
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3-phenylpropanamide (CID 62084084) is N-(2-amino-6-chlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3-phenylpropanamide is Nc1cccc(Cl)c1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3-phenylpropanamide?
The InChIKey is ONMPBXDDJFXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-12-7-4-8-13(17)15(12)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-(2-amino-6-chlorophenyl)-3-phenylpropanamide?
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide has a molecular weight of 274.75 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 62084084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).