5-chloro-N-(2-propan-2-ylphenyl)pentanamide

C14H20ClNO — CID 28727835

IUPAC5-chloro-N-(2-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C14H20ClNO/c1-11(2)12-7-3-4-8-13(12)16-14(17)9-5-6-10-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyUHXROUZNHLRJJJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.16
Rot. Bonds6

About 5-chloro-N-(2-propan-2-ylphenyl)pentanamide

5-chloro-N-(2-propan-2-ylphenyl)pentanamide (PubChem CID 28727835) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-N-(2-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-propan-2-ylphenyl)pentanamide
PubChem CID28727835
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-N-(2-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C14H20ClNO/c1-11(2)12-7-3-4-8-13(12)16-14(17)9-5-6-10-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyUHXROUZNHLRJJJ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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

4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-[2-(1-chloroethyl)phenyl]hexanamide
CID 114304795
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propan-2-ylphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-propan-2-ylphenyl)pentanamide (CID 28727835) is 5-chloro-N-(2-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-propan-2-ylphenyl)pentanamide is CC(C)c1ccccc1NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-propan-2-ylphenyl)pentanamide?
The InChIKey is UHXROUZNHLRJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(2)12-7-3-4-8-13(12)16-14(17)9-5-6-10-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-propan-2-ylphenyl)pentanamide?
5-chloro-N-(2-propan-2-ylphenyl)pentanamide has a molecular weight of 253.77 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 28727835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).