N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide

C12H17ClN2O — CID 110833172

IUPACN-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
SMILESCC(CN)NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-9(8-14)15-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyOZZGJRQVXSPNIC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.74
Rot. Bonds5

About N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide

N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide (PubChem CID 110833172) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
PubChem CID110833172
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
SMILESCC(CN)NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-9(8-14)15-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyOZZGJRQVXSPNIC-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79011146
N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246362
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
CID 80750195
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
3-(2-chlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 17179387

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide (CID 110833172) is N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide is CC(CN)NC(=O)CCc1ccccc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide?
The InChIKey is OZZGJRQVXSPNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(8-14)15-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide?
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide has a molecular weight of 240.73 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 110833172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).