4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide

C13H18ClNO2 — CID 81371294

IUPAC4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyDNDXSAJLLLDHPU-SNVBAGLBSA-N
MW255.74 g/mol
LogP2.89
Rot. Bonds6

About 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide

4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 81371294) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
PubChem CID81371294
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyDNDXSAJLLLDHPU-SNVBAGLBSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
4-chloro-N-[(1S)-1-(4-methoxyphenyl)prop-2-ynyl]butanamide
CID 102256606
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 166383618
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide (CID 81371294) is 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide is COc1ccc([C@@H](C)NC(=O)CCCCl)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is DNDXSAJLLLDHPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 255.74 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 81371294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).