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

C14H20ClNO2 — CID 63307948

IUPAC4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
SMILESCOc1ccccc1CC(C)NC(=O)CCCCl
InChIInChI=1S/C14H20ClNO2/c1-11(16-14(17)8-5-9-15)10-12-6-3-4-7-13(12)18-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyFJXMPRGNDLMIGK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.76
Rot. Bonds7

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

4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide (PubChem CID 63307948) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
PubChem CID63307948
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
SMILESCOc1ccccc1CC(C)NC(=O)CCCCl
InChIInChI=1S/C14H20ClNO2/c1-11(16-14(17)8-5-9-15)10-12-6-3-4-7-13(12)18-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyFJXMPRGNDLMIGK-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
3-(2-methoxyphenyl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91775688
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide (CID 63307948) is 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide is COc1ccccc1CC(C)NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide?
The InChIKey is FJXMPRGNDLMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(16-14(17)8-5-9-15)10-12-6-3-4-7-13(12)18-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide?
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide has a molecular weight of 269.77 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 63307948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).