cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide

C20H18FN3O — CID 95192041

IUPACcis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H18FN3O/c21-18-10-14(6-7-19(18)24-9-8-22-13-24)12-23-20(25)17-11-16(17)15-4-2-1-3-5-15/h1-10,13,16-17H,11-12H2,(H,23,25)/t16-,17-/m1/s1
InChIKeyBUJBXYFAPJWEOO-IAGOWNOFSA-N
MW335.38 g/mol
LogP3.43
Rot. Bonds5

About cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 95192041) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID95192041
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Namecis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H18FN3O/c21-18-10-14(6-7-19(18)24-9-8-22-13-24)12-23-20(25)17-11-16(17)15-4-2-1-3-5-15/h1-10,13,16-17H,11-12H2,(H,23,25)/t16-,17-/m1/s1
InChIKeyBUJBXYFAPJWEOO-IAGOWNOFSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703470
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
(2S,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide;dihydrochloride
CID 128981767
cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 97014244
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 47799467
trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410
N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide
CID 141168854
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylacetamide
CID 56513855
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
CID 86904564

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 95192041) is cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BUJBXYFAPJWEOO-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-18-10-14(6-7-19(18)24-9-8-22-13-24)12-23-20(25)17-11-16(17)15-4-2-1-3-5-15/h1-10,13,16-17H,11-12H2,(H,23,25)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95192041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).