N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide

C18H14F3N3O2 — CID 87026056

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)c1
InChIInChI=1S/C18H14F3N3O2/c1-11-9-22-24(10-11)14-5-2-12(3-6-14)17(25)23-13-4-7-16(15(19)8-13)26-18(20)21/h2-10,18H,1H3,(H,23,25)
InChIKeyLFEBULSEVPZCLP-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.17
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 87026056) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID87026056
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)c1
InChIInChI=1S/C18H14F3N3O2/c1-11-9-22-24(10-11)14-5-2-12(3-6-14)17(25)23-13-4-7-16(15(19)8-13)26-18(20)21/h2-10,18H,1H3,(H,23,25)
InChIKeyLFEBULSEVPZCLP-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 55801691
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49033681
4-(4-methylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55774228
2-[4-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]propanoic acid
CID 136556572

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide (CID 87026056) is N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is LFEBULSEVPZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11-9-22-24(10-11)14-5-2-12(3-6-14)17(25)23-13-4-7-16(15(19)8-13)26-18(20)21/h2-10,18H,1H3,(H,23,25).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 361.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 87026056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).