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

C13H18ClNO2 — CID 79200504

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CCCO
InChIInChI=1S/C13H18ClNO2/c1-10(15-13(17)3-2-8-16)9-11-4-6-12(14)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyIXSIEBKADQDUKK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.16
Rot. Bonds6

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

N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide (PubChem CID 79200504) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
PubChem CID79200504
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CCCO
InChIInChI=1S/C13H18ClNO2/c1-10(15-13(17)3-2-8-16)9-11-4-6-12(14)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyIXSIEBKADQDUKK-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51949788
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide (CID 79200504) is N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide is CC(Cc1ccc(Cl)cc1)NC(=O)CCCO.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide?
The InChIKey is IXSIEBKADQDUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(15-13(17)3-2-8-16)9-11-4-6-12(14)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide?
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide has a molecular weight of 255.74 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide is sourced from PubChem (CID 79200504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).