2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide

C19H22ClNO2 — CID 43917030

IUPAC2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-18(23-17-7-5-6-16(20)12-17)19(22)21-14(3)15-10-8-13(2)9-11-15/h5-12,14,18H,4H2,1-3H3,(H,21,22)
InChIKeyRNNKPZKKYGGKTM-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.68
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide

2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide (PubChem CID 43917030) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
PubChem CID43917030
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-18(23-17-7-5-6-16(20)12-17)19(22)21-14(3)15-10-8-13(2)9-11-15/h5-12,14,18H,4H2,1-3H3,(H,21,22)
InChIKeyRNNKPZKKYGGKTM-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]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

2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide (CID 43917030) is 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is RNNKPZKKYGGKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-18(23-17-7-5-6-16(20)12-17)19(22)21-14(3)15-10-8-13(2)9-11-15/h5-12,14,18H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 331.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 43917030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).