4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide

C25H21FN4O3 — CID 86966161

IUPAC4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C25H21FN4O3/c1-33-21-9-6-18(7-10-21)24(31)29-23-15-19(26)8-11-22(23)25(32)27-16-17-4-2-5-20(14-17)30-13-3-12-28-30/h2-15H,16H2,1H3,(H,27,32)(H,29,31)
InChIKeyKRBWXZNSFZLGTM-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.20
Rot. Bonds7

About 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide

4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 86966161) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID86966161
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C25H21FN4O3/c1-33-21-9-6-18(7-10-21)24(31)29-23-15-19(26)8-11-22(23)25(32)27-16-17-4-2-5-20(14-17)30-13-3-12-28-30/h2-15H,16H2,1H3,(H,27,32)(H,29,31)
InChIKeyKRBWXZNSFZLGTM-UHFFFAOYSA-N
XLogP4.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 86990106
1-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967368
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
1-(2-bromo-4-fluoroanilino)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967357
N-(2-acetyl-5-fluorophenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86788434
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide (CID 86966161) is 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide is COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is KRBWXZNSFZLGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-33-21-9-6-18(7-10-21)24(31)29-23-15-19(26)8-11-22(23)25(32)27-16-17-4-2-5-20(14-17)30-13-3-12-28-30/h2-15H,16H2,1H3,(H,27,32)(H,29,31).
What are the key properties of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide?
4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 444.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 86966161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).