N-(4-chloropentyl)-2-phenylpropanamide

C14H20ClNO — CID 106129293

IUPACN-(4-chloropentyl)-2-phenylpropanamide
SMILESCC(Cl)CCCNC(=O)C(C)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-11(15)7-6-10-16-14(17)12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,16,17)
InChIKeyUQZNMCCCSGJYOV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.31
Rot. Bonds6

About N-(4-chloropentyl)-2-phenylpropanamide

N-(4-chloropentyl)-2-phenylpropanamide (PubChem CID 106129293) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-phenylpropanamide
PubChem CID106129293
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(4-chloropentyl)-2-phenylpropanamide
SMILESCC(Cl)CCCNC(=O)C(C)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-11(15)7-6-10-16-14(17)12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,16,17)
InChIKeyUQZNMCCCSGJYOV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-phenylpropanamide
CID 101453557
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
CID 99856024
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
2-hydroxy-3-(2-phenylpropanoylamino)propanamide
CID 107260947
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-phenylpropanamide?
The IUPAC name of N-(4-chloropentyl)-2-phenylpropanamide (CID 106129293) is N-(4-chloropentyl)-2-phenylpropanamide.
What is the SMILES notation for N-(4-chloropentyl)-2-phenylpropanamide?
The canonical SMILES for N-(4-chloropentyl)-2-phenylpropanamide is CC(Cl)CCCNC(=O)C(C)c1ccccc1.
What is the InChIKey of N-(4-chloropentyl)-2-phenylpropanamide?
The InChIKey is UQZNMCCCSGJYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(15)7-6-10-16-14(17)12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloropentyl)-2-phenylpropanamide?
N-(4-chloropentyl)-2-phenylpropanamide has a molecular weight of 253.77 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-phenylpropanamide is sourced from PubChem (CID 106129293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).