4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide

C19H17FN4O2 — CID 60584832

IUPAC4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C19H17FN4O2/c1-13(25)23-16-5-3-15(4-6-16)19(26)22-11-14-2-7-18(17(20)10-14)24-9-8-21-12-24/h2-10,12H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyUYDGXEOOKJLKMU-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.90
Rot. Bonds5

About 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide

4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 60584832) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID60584832
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C19H17FN4O2/c1-13(25)23-16-5-3-15(4-6-16)19(26)22-11-14-2-7-18(17(20)10-14)24-9-8-21-12-24/h2-10,12H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyUYDGXEOOKJLKMU-UHFFFAOYSA-N
XLogP2.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47738088
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49127727
3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 47799450

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide (CID 60584832) is 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1.
What is the InChIKey of 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is UYDGXEOOKJLKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13(25)23-16-5-3-15(4-6-16)19(26)22-11-14-2-7-18(17(20)10-14)24-9-8-21-12-24/h2-10,12H,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 60584832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).