2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C19H16FN3O — CID 110451935

IUPAC2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C19H16FN3O/c20-15-3-6-18(21)17(12-15)19(24)23-16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11,21H2,(H,23,24)
InChIKeyMVODVVHFQHBXEG-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.65
Rot. Bonds4

About 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 110451935) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID110451935
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C19H16FN3O/c20-15-3-6-18(21)17(12-15)19(24)23-16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11,21H2,(H,23,24)
InChIKeyMVODVVHFQHBXEG-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 110451935) is 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is Nc1ccc(F)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is MVODVVHFQHBXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-15-3-6-18(21)17(12-15)19(24)23-16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11,21H2,(H,23,24).
What are the key properties of 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 321.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 110451935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).