3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide

C18H21ClN2O — CID 109020077

IUPAC3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14(15-7-3-2-4-8-15)21-18(22)11-12-20-13-16-9-5-6-10-17(16)19/h2-10,14,20H,11-13H2,1H3,(H,21,22)
InChIKeyWBIGTTWVOJOXDF-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.70
Rot. Bonds7

About 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide

3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide (PubChem CID 109020077) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
PubChem CID109020077
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14(15-7-3-2-4-8-15)21-18(22)11-12-20-13-16-9-5-6-10-17(16)19/h2-10,14,20H,11-13H2,1H3,(H,21,22)
InChIKeyWBIGTTWVOJOXDF-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
CID 109020118
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-butan-2-yl-3-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112554128
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide (CID 109020077) is 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCNCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is WBIGTTWVOJOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14(15-7-3-2-4-8-15)21-18(22)11-12-20-13-16-9-5-6-10-17(16)19/h2-10,14,20H,11-13H2,1H3,(H,21,22).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide?
3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 109020077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).