4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

C19H21ClN2O2 — CID 74292353

IUPAC4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C19H21ClN2O2/c1-12(2)17(19(24)21-16-10-4-13(3)5-11-16)22-18(23)14-6-8-15(20)9-7-14/h4-12,17H,1-3H3,(H,21,24)(H,22,23)
InChIKeyAHIIOAGZCXSGFP-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.04
Rot. Bonds5

About 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 74292353) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID74292353
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C19H21ClN2O2/c1-12(2)17(19(24)21-16-10-4-13(3)5-11-16)22-18(23)14-6-8-15(20)9-7-14/h4-12,17H,1-3H3,(H,21,24)(H,22,23)
InChIKeyAHIIOAGZCXSGFP-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
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N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112763269
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
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4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
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2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
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(2S)-2-[[4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-3-methylbutanoic acid
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4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (CID 74292353) is 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is Cc1ccc(NC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)cc1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is AHIIOAGZCXSGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12(2)17(19(24)21-16-10-4-13(3)5-11-16)22-18(23)14-6-8-15(20)9-7-14/h4-12,17H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 74292353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).