N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide

C15H15F2N3O — CID 141168854

IUPACN-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCC1n1ccnc1
InChIInChI=1S/C15H15F2N3O/c16-12-3-1-10(7-13(12)17)8-19-15(21)11-2-4-14(11)20-6-5-18-9-20/h1,3,5-7,9,11,14H,2,4,8H2,(H,19,21)
InChIKeyVDLVFGJEAILFMY-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.43
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide (PubChem CID 141168854) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide
PubChem CID141168854
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCC1n1ccnc1
InChIInChI=1S/C15H15F2N3O/c16-12-3-1-10(7-13(12)17)8-19-15(21)11-2-4-14(11)20-6-5-18-9-20/h1,3,5-7,9,11,14H,2,4,8H2,(H,19,21)
InChIKeyVDLVFGJEAILFMY-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 136514717
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945093
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703470
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide (CID 141168854) is N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide is O=C(NCc1ccc(F)c(F)c1)C1CCC1n1ccnc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide?
The InChIKey is VDLVFGJEAILFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-12-3-1-10(7-13(12)17)8-19-15(21)11-2-4-14(11)20-6-5-18-9-20/h1,3,5-7,9,11,14H,2,4,8H2,(H,19,21).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 141168854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).