3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide

C17H19ClN2O — CID 28713453

IUPAC3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESNc1cccc(CCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-5-1-3-14(11-15)9-10-20-17(21)8-7-13-4-2-6-16(19)12-13/h1-6,11-12H,7-10,19H2,(H,20,21)
InChIKeySIRHJARQVCQLHX-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.21
Rot. Bonds6

About 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide

3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide (PubChem CID 28713453) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
PubChem CID28713453
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESNc1cccc(CCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-5-1-3-14(11-15)9-10-20-17(21)8-7-13-4-2-6-16(19)12-13/h1-6,11-12H,7-10,19H2,(H,20,21)
InChIKeySIRHJARQVCQLHX-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.21
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-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
2-(3-chlorophenyl)ethylurea
CID 127513466
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide (CID 28713453) is 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide is Nc1cccc(CCC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is SIRHJARQVCQLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-5-1-3-14(11-15)9-10-20-17(21)8-7-13-4-2-6-16(19)12-13/h1-6,11-12H,7-10,19H2,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.21, 6 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-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 28713453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).