2-chloro-4-phenyl-N-propylbutanamide

C13H18ClNO — CID 62879556

IUPAC2-chloro-4-phenyl-N-propylbutanamide
SMILESCCCNC(=O)C(Cl)CCc1ccccc1
InChIInChI=1S/C13H18ClNO/c1-2-10-15-13(16)12(14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)
InChIKeyKJVFRLDILZZJPS-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.75
Rot. Bonds6

About 2-chloro-4-phenyl-N-propylbutanamide

2-chloro-4-phenyl-N-propylbutanamide (PubChem CID 62879556) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-4-phenyl-N-propylbutanamide.

Molecular Properties

Compound Name2-chloro-4-phenyl-N-propylbutanamide
PubChem CID62879556
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-4-phenyl-N-propylbutanamide
SMILESCCCNC(=O)C(Cl)CCc1ccccc1
InChIInChI=1S/C13H18ClNO/c1-2-10-15-13(16)12(14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)
InChIKeyKJVFRLDILZZJPS-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-1,7-diphenylheptan-4-one
CID 56634500
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-N-propylbutanamide?
The IUPAC name of 2-chloro-4-phenyl-N-propylbutanamide (CID 62879556) is 2-chloro-4-phenyl-N-propylbutanamide.
What is the SMILES notation for 2-chloro-4-phenyl-N-propylbutanamide?
The canonical SMILES for 2-chloro-4-phenyl-N-propylbutanamide is CCCNC(=O)C(Cl)CCc1ccccc1.
What is the InChIKey of 2-chloro-4-phenyl-N-propylbutanamide?
The InChIKey is KJVFRLDILZZJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-10-15-13(16)12(14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16).
What are the key properties of 2-chloro-4-phenyl-N-propylbutanamide?
2-chloro-4-phenyl-N-propylbutanamide has a molecular weight of 239.75 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-N-propylbutanamide is sourced from PubChem (CID 62879556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).