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

C22H24ClN3O3 — CID 24601515

IUPAC4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24ClN3O3/c1-13(2)19(26-21(28)15-5-7-16(23)8-6-15)22(29)25-18-11-9-17(10-12-18)24-20(27)14-3-4-14/h5-14,19H,3-4H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyRJSCZSQHMJNNKJ-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.08
Rot. Bonds7

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

4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 24601515) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID24601515
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24ClN3O3/c1-13(2)19(26-21(28)15-5-7-16(23)8-6-15)22(29)25-18-11-9-17(10-12-18)24-20(27)14-3-4-14/h5-14,19H,3-4H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyRJSCZSQHMJNNKJ-UHFFFAOYSA-N
XLogP4.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
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4-chloro-N-[1-[4-(methanesulfonamido)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
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N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
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4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
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4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
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4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
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N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]cyclohexane-1-carboxamide
CID 7064719
4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78783056
N-[1-(5-acetamido-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 24601515) is 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is RJSCZSQHMJNNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-13(2)19(26-21(28)15-5-7-16(23)8-6-15)22(29)25-18-11-9-17(10-12-18)24-20(27)14-3-4-14/h5-14,19H,3-4H2,1-2H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 413.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24601515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).