2-chloro-N-(1-phenylpropyl)pentanamide

C14H20ClNO — CID 165438595

IUPAC2-chloro-N-(1-phenylpropyl)pentanamide
SMILESCCCC(Cl)C(=O)NC(CC)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-3-8-12(15)14(17)16-13(4-2)11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyFWWAIEBXVXJHNJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.66
Rot. Bonds6

About 2-chloro-N-(1-phenylpropyl)pentanamide

2-chloro-N-(1-phenylpropyl)pentanamide (PubChem CID 165438595) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylpropyl)pentanamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylpropyl)pentanamide
PubChem CID165438595
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-(1-phenylpropyl)pentanamide
SMILESCCCC(Cl)C(=O)NC(CC)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-3-8-12(15)14(17)16-13(4-2)11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyFWWAIEBXVXJHNJ-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.66
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

(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
N-(2-bromo-1-phenylethyl)-2-propylpentanamide
CID 82987102
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
CID 107769437
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylpropyl)pentanamide?
The IUPAC name of 2-chloro-N-(1-phenylpropyl)pentanamide (CID 165438595) is 2-chloro-N-(1-phenylpropyl)pentanamide.
What is the SMILES notation for 2-chloro-N-(1-phenylpropyl)pentanamide?
The canonical SMILES for 2-chloro-N-(1-phenylpropyl)pentanamide is CCCC(Cl)C(=O)NC(CC)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylpropyl)pentanamide?
The InChIKey is FWWAIEBXVXJHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-8-12(15)14(17)16-13(4-2)11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-(1-phenylpropyl)pentanamide?
2-chloro-N-(1-phenylpropyl)pentanamide has a molecular weight of 253.77 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylpropyl)pentanamide is sourced from PubChem (CID 165438595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).