3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide

C19H16ClF2N3O2 — CID 35525665

IUPAC3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2N3O2/c1-11-18(23-19(26)13-4-3-5-14(20)8-13)12(2)25(24-11)10-27-17-7-6-15(21)9-16(17)22/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyHOFVFLDVNCPVFH-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.72
Rot. Bonds5

About 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide

3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide (PubChem CID 35525665) has the molecular formula C19H16ClF2N3O2 and a molecular weight of 391.81 g/mol. Its IUPAC name is 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
PubChem CID35525665
Molecular FormulaC19H16ClF2N3O2
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2N3O2/c1-11-18(23-19(26)13-4-3-5-14(20)8-13)12(2)25(24-11)10-27-17-7-6-15(21)9-16(17)22/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyHOFVFLDVNCPVFH-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 35525590
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 35525484
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19337736
1-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 35592263
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19335561
3-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346642
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-carboxamide
CID 39854201
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
CID 39853354
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-2-carboxamide
CID 39853363
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 35525710
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 17088813
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19405876

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide (CID 35525665) is 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide is Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The InChIKey is HOFVFLDVNCPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2/c1-11-18(23-19(26)13-4-3-5-14(20)8-13)12(2)25(24-11)10-27-17-7-6-15(21)9-16(17)22/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide has a molecular weight of 391.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide is sourced from PubChem (CID 35525665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).