cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

C21H21FN2O2 — CID 95178508

IUPACcis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C21H21FN2O2/c22-16-5-3-4-15(12-16)18-13-19(18)20(25)23-17-8-6-14(7-9-17)21(26)24-10-1-2-11-24/h3-9,12,18-19H,1-2,10-11,13H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyZSUMHFBTTLBLAM-RTBURBONSA-N
MW352.41 g/mol
LogP3.80
Rot. Bonds4

About cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 95178508) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
PubChem CID95178508
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Namecis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C21H21FN2O2/c22-16-5-3-4-15(12-16)18-13-19(18)20(25)23-17-8-6-14(7-9-17)21(26)24-10-1-2-11-24/h3-9,12,18-19H,1-2,10-11,13H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyZSUMHFBTTLBLAM-RTBURBONSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
(1S,6S)-6-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080158
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
(3S,4R)-1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93152505
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-[4-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazine-1-carbonyl]phenyl]acetamide
CID 51896804
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (CID 95178508) is cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZSUMHFBTTLBLAM-RTBURBONSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-16-5-3-4-15(12-16)18-13-19(18)20(25)23-17-8-6-14(7-9-17)21(26)24-10-1-2-11-24/h3-9,12,18-19H,1-2,10-11,13H2,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95178508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).