N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide

C14H18ClNO3 — CID 86085485

IUPACN-(4-butoxyphenyl)-4-chloro-3-oxobutanamide
SMILESCCCCOc1ccc(NC(=O)CC(=O)CCl)cc1
InChIInChI=1S/C14H18ClNO3/c1-2-3-8-19-13-6-4-11(5-7-13)16-14(18)9-12(17)10-15/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyGBADAVZCWHXHCG-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.00
Rot. Bonds8

About N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide

N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide (PubChem CID 86085485) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-chloro-3-oxobutanamide
PubChem CID86085485
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC NameN-(4-butoxyphenyl)-4-chloro-3-oxobutanamide
SMILESCCCCOc1ccc(NC(=O)CC(=O)CCl)cc1
InChIInChI=1S/C14H18ClNO3/c1-2-3-8-19-13-6-4-11(5-7-13)16-14(18)9-12(17)10-15/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyGBADAVZCWHXHCG-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butoxyphenyl)butanamide
CID 4939679
4-chloro-N-(4-heptylphenyl)-3-oxobutanamide
CID 86085625
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-(4-decoxyphenyl)butanamide
CID 143303175
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
N-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide?
The IUPAC name of N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide (CID 86085485) is N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide?
The canonical SMILES for N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide is CCCCOc1ccc(NC(=O)CC(=O)CCl)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide?
The InChIKey is GBADAVZCWHXHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-3-8-19-13-6-4-11(5-7-13)16-14(18)9-12(17)10-15/h4-7H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide?
N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide has a molecular weight of 283.76 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide is sourced from PubChem (CID 86085485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).