4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide

C18H19ClN2O3 — CID 17217156

IUPAC4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-16(24-14-8-9-15(19)11(2)10-14)18(23)21-13-6-4-12(5-7-13)17(20)22/h4-10,16H,3H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOBRPJHCKDJTSQI-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.54
Rot. Bonds6

About 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide

4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide (PubChem CID 17217156) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
PubChem CID17217156
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-16(24-14-8-9-15(19)11(2)10-14)18(23)21-13-6-4-12(5-7-13)17(20)22/h4-10,16H,3H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOBRPJHCKDJTSQI-UHFFFAOYSA-N
XLogP3.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013
2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 132652405
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99133336
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide?
The IUPAC name of 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide (CID 17217156) is 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide?
The canonical SMILES for 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide?
The InChIKey is OBRPJHCKDJTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-16(24-14-8-9-15(19)11(2)10-14)18(23)21-13-6-4-12(5-7-13)17(20)22/h4-10,16H,3H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide?
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 17217156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).