3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide

C19H19FN4O — CID 50983440

IUPAC3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(NCc3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C19H19FN4O/c1-13-9-18(24-23-13)12-22-19(25)15-3-2-4-17(10-15)21-11-14-5-7-16(20)8-6-14/h2-10,21H,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJJWBNLKVPWQETF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.40
Rot. Bonds6

About 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide

3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide (PubChem CID 50983440) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
PubChem CID50983440
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(NCc3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C19H19FN4O/c1-13-9-18(24-23-13)12-22-19(25)15-3-2-4-17(10-15)21-11-14-5-7-16(20)8-6-14/h2-10,21H,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJJWBNLKVPWQETF-UHFFFAOYSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
5-[(4-fluorophenoxy)methyl]-N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332434
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide (CID 50983440) is 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(NCc3ccc(F)cc3)c2)n[nH]1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The InChIKey is JJWBNLKVPWQETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-9-18(24-23-13)12-22-19(25)15-3-2-4-17(10-15)21-11-14-5-7-16(20)8-6-14/h2-10,21H,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide has a molecular weight of 338.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 50983440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).