trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide

C21H23FN2O — CID 97014213

IUPACtrans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C21H23FN2O/c22-19-9-3-2-8-16(19)17-13-18(17)21(25)23-20-10-4-1-7-15(20)14-24-11-5-6-12-24/h1-4,7-10,17-18H,5-6,11-14H2,(H,23,25)/t17-,18+/m0/s1
InChIKeyUAJXKPUARLARNJ-ZWKOTPCHSA-N
MW338.43 g/mol
LogP4.16
Rot. Bonds5

About trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 97014213) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID97014213
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Nametrans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C21H23FN2O/c22-19-9-3-2-8-16(19)17-13-18(17)21(25)23-20-10-4-1-7-15(20)14-24-11-5-6-12-24/h1-4,7-10,17-18H,5-6,11-14H2,(H,23,25)/t17-,18+/m0/s1
InChIKeyUAJXKPUARLARNJ-ZWKOTPCHSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 71905638
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076
cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 95054873
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131894722
trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
CID 166239895

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide (CID 97014213) is trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UAJXKPUARLARNJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-19-9-3-2-8-16(19)17-13-18(17)21(25)23-20-10-4-1-7-15(20)14-24-11-5-6-12-24/h1-4,7-10,17-18H,5-6,11-14H2,(H,23,25)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.16, 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-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97014213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).