3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide

C25H24ClN3O2 — CID 41081211

IUPAC3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
SMILESCc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl
InChIInChI=1S/C25H24ClN3O2/c1-16-10-11-21(15-22(16)26)29-25(31)23(17-6-3-2-4-7-17)27-20-9-5-8-18(14-20)24(30)28-19-12-13-19/h2-11,14-15,19,23,27H,12-13H2,1H3,(H,28,30)(H,29,31)/t23-/m1/s1
InChIKeyITCNSWHEKIJBSQ-HSZRJFAPSA-N
MW433.94 g/mol
LogP5.33
Rot. Bonds7

About 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide

3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide (PubChem CID 41081211) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
PubChem CID41081211
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
SMILESCc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl
InChIInChI=1S/C25H24ClN3O2/c1-16-10-11-21(15-22(16)26)29-25(31)23(17-6-3-2-4-7-17)27-20-9-5-8-18(14-20)24(30)28-19-12-13-19/h2-11,14-15,19,23,27H,12-13H2,1H3,(H,28,30)(H,29,31)/t23-/m1/s1
InChIKeyITCNSWHEKIJBSQ-HSZRJFAPSA-N
XLogP5.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide with MolForge

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Related Compounds

N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2565303
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
CID 2442322
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide (CID 41081211) is 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide is Cc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl.
What is the InChIKey of 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide?
The InChIKey is ITCNSWHEKIJBSQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-16-10-11-21(15-22(16)26)29-25(31)23(17-6-3-2-4-7-17)27-20-9-5-8-18(14-20)24(30)28-19-12-13-19/h2-11,14-15,19,23,27H,12-13H2,1H3,(H,28,30)(H,29,31)/t23-/m1/s1.
What are the key properties of 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide?
3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide has a molecular weight of 433.94 g/mol, XLogP of 5.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 41081211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).