4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide

C19H19ClN2O2 — CID 95773774

IUPAC4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-12-10-15(12)18(23)21-17-11-13(8-9-16(17)20)19(24)22(2)14-6-4-3-5-7-14/h3-9,11-12,15H,10H2,1-2H3,(H,21,23)/t12-,15-/m1/s1
InChIKeyYDFARVQEWUXWFW-IUODEOHRSA-N
MW342.83 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide

4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide (PubChem CID 95773774) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide
PubChem CID95773774
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-12-10-15(12)18(23)21-17-11-13(8-9-16(17)20)19(24)22(2)14-6-4-3-5-7-14/h3-9,11-12,15H,10H2,1-2H3,(H,21,23)/t12-,15-/m1/s1
InChIKeyYDFARVQEWUXWFW-IUODEOHRSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-(3-propan-2-ylphenyl)benzamide
CID 60586858
6-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2970022
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715613
2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109133766
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide
CID 120628461
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
(1R,6R)-6-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6977837

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide?
The IUPAC name of 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide (CID 95773774) is 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide is C[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide?
The InChIKey is YDFARVQEWUXWFW-IUODEOHRSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-10-15(12)18(23)21-17-11-13(8-9-16(17)20)19(24)22(2)14-6-4-3-5-7-14/h3-9,11-12,15H,10H2,1-2H3,(H,21,23)/t12-,15-/m1/s1.
What are the key properties of 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide?
4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide has a molecular weight of 342.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 95773774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).