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

C19H18F2N2O2 — CID 95625116

IUPAC3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C
InChIInChI=1S/C19H18F2N2O2/c1-10-12(18(24)22-2)4-3-5-17(10)23-19(25)15-9-14(15)13-7-6-11(20)8-16(13)21/h3-8,14-15H,9H2,1-2H3,(H,22,24)(H,23,25)/t14-,15+/m0/s1
InChIKeyYWVYSDBOZFXUNL-LSDHHAIUSA-N
MW344.36 g/mol
LogP3.38
Rot. Bonds4

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

3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide (PubChem CID 95625116) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide
PubChem CID95625116
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C
InChIInChI=1S/C19H18F2N2O2/c1-10-12(18(24)22-2)4-3-5-17(10)23-19(25)15-9-14(15)13-7-6-11(20)8-16(13)21/h3-8,14-15H,9H2,1-2H3,(H,22,24)(H,23,25)/t14-,15+/m0/s1
InChIKeyYWVYSDBOZFXUNL-LSDHHAIUSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 95979961
trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 99785302
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 166375965
2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide
CID 97066219
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide (CID 95625116) is 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C.
What is the InChIKey of 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide?
The InChIKey is YWVYSDBOZFXUNL-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-10-12(18(24)22-2)4-3-5-17(10)23-19(25)15-9-14(15)13-7-6-11(20)8-16(13)21/h3-8,14-15H,9H2,1-2H3,(H,22,24)(H,23,25)/t14-,15+/m0/s1.
What are the key properties of 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide?
3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide has a molecular weight of 344.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 95625116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).