trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide

C20H21FN2O2 — CID 95338461

IUPACtrans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-16-8-6-15(7-9-16)17-12-18(17)20(25)23-13-19(24)22-11-10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,22,24)(H,23,25)/t17-,18+/m0/s1
InChIKeySVRQRMFDPQZPAG-ZWKOTPCHSA-N
MW340.40 g/mol
LogP2.40
Rot. Bonds7

About trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 95338461) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID95338461
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-16-8-6-15(7-9-16)17-12-18(17)20(25)23-13-19(24)22-11-10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,22,24)(H,23,25)/t17-,18+/m0/s1
InChIKeySVRQRMFDPQZPAG-ZWKOTPCHSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78866705
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 51292308
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 86843833
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 32637303
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide (CID 95338461) is trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide is O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)NCCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SVRQRMFDPQZPAG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-8-6-15(7-9-16)17-12-18(17)20(25)23-13-19(24)22-11-10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,22,24)(H,23,25)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95338461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).