N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide

C18H15ClFN3O2 — CID 19402880

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H15ClFN3O2/c1-25-16-5-3-2-4-14(16)18(24)21-17-8-9-23(22-17)11-12-6-7-13(20)10-15(12)19/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyIUXGYWIDNSJASI-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.98
Rot. Bonds5

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 19402880) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID19402880
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H15ClFN3O2/c1-25-16-5-3-2-4-14(16)18(24)21-17-8-9-23(22-17)11-12-6-7-13(20)10-15(12)19/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyIUXGYWIDNSJASI-UHFFFAOYSA-N
XLogP3.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403011
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 4773476
3-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403014
5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19402979
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19402900
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-ethylbutanamide
CID 19402868
4-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19267425
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472169
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476178

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide (CID 19402880) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is IUXGYWIDNSJASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-25-16-5-3-2-4-14(16)18(24)21-17-8-9-23(22-17)11-12-6-7-13(20)10-15(12)19/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 359.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 19402880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).