3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide

C23H21ClN2O3 — CID 43877483

IUPAC3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)C(C)Oc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C23H21ClN2O3/c1-15-5-3-7-19(13-15)26-23(28)17-6-4-8-20(14-17)25-22(27)16(2)29-21-11-9-18(24)10-12-21/h3-14,16H,1-2H3,(H,25,27)(H,26,28)
InChIKeyONNBOPVGRSQBEF-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.31
Rot. Bonds6

About 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide

3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide (PubChem CID 43877483) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
PubChem CID43877483
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)C(C)Oc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C23H21ClN2O3/c1-15-5-3-7-19(13-15)26-23(28)17-6-4-8-20(14-17)25-22(27)16(2)29-21-11-9-18(24)10-12-21/h3-14,16H,1-2H3,(H,25,27)(H,26,28)
InChIKeyONNBOPVGRSQBEF-UHFFFAOYSA-N
XLogP5.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide (CID 43877483) is 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)C(C)Oc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
The InChIKey is ONNBOPVGRSQBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-5-3-7-19(13-15)26-23(28)17-6-4-8-20(14-17)25-22(27)16(2)29-21-11-9-18(24)10-12-21/h3-14,16H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide has a molecular weight of 408.89 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 43877483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).