4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide

C18H19ClN2O3 — CID 87004483

IUPAC4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-4-7-14(8-5-11)24-12(2)17(22)21-16-10-13(18(23)20-3)6-9-15(16)19/h4-10,12H,1-3H3,(H,20,23)(H,21,22)
InChIKeyIQMGCKJHEPWDLD-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.41
Rot. Bonds5

About 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide

4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide (PubChem CID 87004483) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
PubChem CID87004483
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-4-7-14(8-5-11)24-12(2)17(22)21-16-10-13(18(23)20-3)6-9-15(16)19/h4-10,12H,1-3H3,(H,20,23)(H,21,22)
InChIKeyIQMGCKJHEPWDLD-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87025364
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 7372209
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 98667710
4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 1041037
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide (CID 87004483) is 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide is CNC(=O)c1ccc(Cl)c(NC(=O)C(C)Oc2ccc(C)cc2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
The InChIKey is IQMGCKJHEPWDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-4-7-14(8-5-11)24-12(2)17(22)21-16-10-13(18(23)20-3)6-9-15(16)19/h4-10,12H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 87004483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).