N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide

C13H18ClNO — CID 60769951

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C(C)C
InChIInChI=1S/C13H18ClNO/c1-9(2)13(16)15-10(3)8-11-4-6-12(14)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyNEDCPIVACDLHHE-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide

N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 60769951) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
PubChem CID60769951
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C(C)C
InChIInChI=1S/C13H18ClNO/c1-9(2)13(16)15-10(3)8-11-4-6-12(14)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyNEDCPIVACDLHHE-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
CID 43697058
2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide
CID 65226183
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
(2S)-2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 61156330
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
2-bromo-N-[1-(4-chlorophenyl)propan-2-yl]-5-methylbenzamide
CID 81109562
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81490077
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide (CID 60769951) is N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide is CC(Cc1ccc(Cl)cc1)NC(=O)C(C)C.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is NEDCPIVACDLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)13(16)15-10(3)8-11-4-6-12(14)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide?
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 239.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 60769951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).