N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

C21H19F2N3O — CID 16675077

IUPACN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O/c1-26-12-11-24-19(26)18(14-7-8-16(22)17(23)13-14)25-20(27)21(9-10-21)15-5-3-2-4-6-15/h2-8,11-13,18H,9-10H2,1H3,(H,25,27)
InChIKeyHFDUKVMTRNBPAW-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.64
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 16675077) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID16675077
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O/c1-26-12-11-24-19(26)18(14-7-8-16(22)17(23)13-14)25-20(27)21(9-10-21)15-5-3-2-4-6-15/h2-8,11-13,18H,9-10H2,1H3,(H,25,27)
InChIKeyHFDUKVMTRNBPAW-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 16675077) is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is Cn1ccnc1C(NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is HFDUKVMTRNBPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-26-12-11-24-19(26)18(14-7-8-16(22)17(23)13-14)25-20(27)21(9-10-21)15-5-3-2-4-6-15/h2-8,11-13,18H,9-10H2,1H3,(H,25,27).
What are the key properties of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 16675077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).