trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide

C22H18F2N2O — CID 99785302

IUPACtrans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N2O/c23-16-7-8-17(20(24)11-16)18-12-19(18)22(27)26-21-6-2-1-5-15(21)10-14-4-3-9-25-13-14/h1-9,11,13,18-19H,10,12H2,(H,26,27)/t18-,19+/m0/s1
InChIKeyKGRRQBMBEQPJIT-RBUKOAKNSA-N
MW364.40 g/mol
LogP4.69
Rot. Bonds5

About trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 99785302) has the molecular formula C22H18F2N2O and a molecular weight of 364.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID99785302
Molecular FormulaC22H18F2N2O
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nametrans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N2O/c23-16-7-8-17(20(24)11-16)18-12-19(18)22(27)26-21-6-2-1-5-15(21)10-14-4-3-9-25-13-14/h1-9,11,13,18-19H,10,12H2,(H,26,27)/t18-,19+/m0/s1
InChIKeyKGRRQBMBEQPJIT-RBUKOAKNSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide
CID 95625116
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 95979961
2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 71905638
trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
CID 166239895
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 97014213
3-[[3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241222
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569997
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 trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide (CID 99785302) is trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1Cc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1F.
What is the InChIKey of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is KGRRQBMBEQPJIT-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H18F2N2O/c23-16-7-8-17(20(24)11-16)18-12-19(18)22(27)26-21-6-2-1-5-15(21)10-14-4-3-9-25-13-14/h1-9,11,13,18-19H,10,12H2,(H,26,27)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99785302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).