4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide

C13H18ClNO2 — CID 3613637

IUPAC4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CCCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-17-12-6-4-11(5-7-12)8-10-15-13(16)3-2-9-14/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyCQKHRBZRLVRBGF-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.37
Rot. Bonds7

About 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide

4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 3613637) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID3613637
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CCCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-17-12-6-4-11(5-7-12)8-10-15-13(16)3-2-9-14/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyCQKHRBZRLVRBGF-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.37
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

4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide (CID 3613637) is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide is COc1ccc(CCNC(=O)CCCCl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is CQKHRBZRLVRBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-12-6-4-11(5-7-12)8-10-15-13(16)3-2-9-14/h4-7H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide?
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 255.74 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 3613637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).