N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide

C20H17ClF3N3O3 — CID 19339205

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)ccc1OC(F)F
InChIInChI=1S/C20H17ClF3N3O3/c1-11-8-18(26-27(11)10-13-14(21)4-3-5-15(13)22)25-19(28)12-6-7-16(30-20(23)24)17(9-12)29-2/h3-9,20H,10H2,1-2H3,(H,25,26,28)
InChIKeyQUZRMEFLZVXDJR-UHFFFAOYSA-N
MW439.82 g/mol
LogP4.89
Rot. Bonds7

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 19339205) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID19339205
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)ccc1OC(F)F
InChIInChI=1S/C20H17ClF3N3O3/c1-11-8-18(26-27(11)10-13-14(21)4-3-5-15(13)22)25-19(28)12-6-7-16(30-20(23)24)17(9-12)29-2/h3-9,20H,10H2,1-2H3,(H,25,26,28)
InChIKeyQUZRMEFLZVXDJR-UHFFFAOYSA-N
XLogP4.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19393849
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19339600
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19405275
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19335444
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]cyclopropanecarboxamide
CID 19335415
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 19339288
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 19410483
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19335422
4-(difluoromethoxy)-3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286821
3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19335177
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443537

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 19339205) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)ccc1OC(F)F.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is QUZRMEFLZVXDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c1-11-8-18(26-27(11)10-13-14(21)4-3-5-15(13)22)25-19(28)12-6-7-16(30-20(23)24)17(9-12)29-2/h3-9,20H,10H2,1-2H3,(H,25,26,28).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 439.82 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 19339205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).