trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C18H18FNO2 — CID 97011420

IUPACtrans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C([C@H]1C[C@@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H18FNO2/c19-13-4-1-3-12(9-13)11-20(14-6-7-14)18(21)16-10-15(16)17-5-2-8-22-17/h1-5,8-9,14-16H,6-7,10-11H2/t15-,16-/m0/s1
InChIKeyFQBQDFHTHKXSOO-HOTGVXAUSA-N
MW299.34 g/mol
LogP3.71
Rot. Bonds5

About trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 97011420) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID97011420
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Nametrans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C([C@H]1C[C@@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H18FNO2/c19-13-4-1-3-12(9-13)11-20(14-6-7-14)18(21)16-10-15(16)17-5-2-8-22-17/h1-5,8-9,14-16H,6-7,10-11H2/t15-,16-/m0/s1
InChIKeyFQBQDFHTHKXSOO-HOTGVXAUSA-N
XLogP3.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 97077018
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265812
N-cyclopropyl-2-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86851913
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97228729
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55582556
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 97011420) is trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C([C@H]1C[C@@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FQBQDFHTHKXSOO-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-13-4-1-3-12(9-13)11-20(14-6-7-14)18(21)16-10-15(16)17-5-2-8-22-17/h1-5,8-9,14-16H,6-7,10-11H2/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97011420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).