N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide

C18H13ClF3N3O2 — CID 19410406

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H13ClF3N3O2/c19-15-5-2-6-16(20)14(15)10-25-9-12(8-23-25)24-17(26)11-3-1-4-13(7-11)27-18(21)22/h1-9,18H,10H2,(H,24,26)
InChIKeyMINJJZSTCRRHEP-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.58
Rot. Bonds6

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide (PubChem CID 19410406) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide
PubChem CID19410406
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H13ClF3N3O2/c19-15-5-2-6-16(20)14(15)10-25-9-12(8-23-25)24-17(26)11-3-1-4-13(7-11)27-18(21)22/h1-9,18H,10H2,(H,24,26)
InChIKeyMINJJZSTCRRHEP-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 19410483
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19410382
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19410347
3-(difluoromethoxy)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336243
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxy-3-nitrobenzamide
CID 19410376
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-[2-(difluoromethoxy)phenyl]thiourea
CID 19343917
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19410555
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
CID 19410315
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505236

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide (CID 19410406) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide is O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide?
The InChIKey is MINJJZSTCRRHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-15-5-2-6-16(20)14(15)10-25-9-12(8-23-25)24-17(26)11-3-1-4-13(7-11)27-18(21)22/h1-9,18H,10H2,(H,24,26).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide has a molecular weight of 395.77 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 19410406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).