4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide

C19H19ClN2O2 — CID 95160666

IUPAC4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H19ClN2O2/c1-11-9-13(18(23)21-2)5-8-17(11)22-19(24)16-10-15(16)12-3-6-14(20)7-4-12/h3-9,15-16H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+/m0/s1
InChIKeyROUTZBXAHKVPHC-JKSUJKDBSA-N
MW342.83 g/mol
LogP3.75
Rot. Bonds4

About 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide

4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide (PubChem CID 95160666) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide
PubChem CID95160666
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H19ClN2O2/c1-11-9-13(18(23)21-2)5-8-17(11)22-19(24)16-10-15(16)12-3-6-14(20)7-4-12/h3-9,15-16H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+/m0/s1
InChIKeyROUTZBXAHKVPHC-JKSUJKDBSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide with MolForge

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Related Compounds

trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 96564716
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
2-N-(3-chloro-4-fluorophenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143094
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1-ethyl-6-oxopyrimidin-5-yl)cyclopropane-1-carboxamide
CID 166252428
4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
CID 55706071
2-(4-chlorophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 139582805

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide (CID 95160666) is 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide?
The InChIKey is ROUTZBXAHKVPHC-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-9-13(18(23)21-2)5-8-17(11)22-19(24)16-10-15(16)12-3-6-14(20)7-4-12/h3-9,15-16H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+/m0/s1.
What are the key properties of 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide?
4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide has a molecular weight of 342.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 95160666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).