trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide

C24H22FNO — CID 97061376

IUPACtrans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H22FNO/c1-26(24(27)23-15-22(23)20-11-13-21(25)14-12-20)16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1
InChIKeyAUCDJTBPCBHQCS-PKTZIBPZSA-N
MW359.44 g/mol
LogP5.25
Rot. Bonds5

About trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 97061376) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID97061376
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Nametrans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H22FNO/c1-26(24(27)23-15-22(23)20-11-13-21(25)14-12-20)16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1
InChIKeyAUCDJTBPCBHQCS-PKTZIBPZSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 51292110
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
CID 111695531
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-[(4-cyanophenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134004257
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 71864033
N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 79543844
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486
trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 133267652
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide (CID 97061376) is trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is AUCDJTBPCBHQCS-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H22FNO/c1-26(24(27)23-15-22(23)20-11-13-21(25)14-12-20)16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 359.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97061376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).