4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide

C14H20ClNO — CID 82109331

IUPAC4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
SMILESCc1ccc(CC(C)NC(=O)CCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-11-5-7-13(8-6-11)10-12(2)16-14(17)4-3-9-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyRDGSNOOKEKGQPC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide

4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide (PubChem CID 82109331) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
PubChem CID82109331
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
SMILESCc1ccc(CC(C)NC(=O)CCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-11-5-7-13(8-6-11)10-12(2)16-14(17)4-3-9-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyRDGSNOOKEKGQPC-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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

4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide
CID 67833765
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
CID 63307948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide (CID 82109331) is 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide is Cc1ccc(CC(C)NC(=O)CCCCl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide?
The InChIKey is RDGSNOOKEKGQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-5-7-13(8-6-11)10-12(2)16-14(17)4-3-9-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide?
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide has a molecular weight of 253.77 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 82109331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).