2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide

C15H13FN2O — CID 162352998

IUPAC2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide
SMILES[H]/N=C(\NC(=O)c1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C15H13FN2O/c1-10-5-4-6-11(9-10)14(17)18-15(19)12-7-2-3-8-13(12)16/h2-9H,1H3,(H2,17,18,19)
InChIKeyCWRXPOVSBBEEJY-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.89
Rot. Bonds2

About 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide

2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide (PubChem CID 162352998) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide
PubChem CID162352998
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide
SMILES[H]/N=C(\NC(=O)c1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C15H13FN2O/c1-10-5-4-6-11(9-10)14(17)18-15(19)12-7-2-3-8-13(12)16/h2-9H,1H3,(H2,17,18,19)
InChIKeyCWRXPOVSBBEEJY-UHFFFAOYSA-N
XLogP2.89
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
CID 136215773
3-Carbamimidoylbenzamide
CID 18327622
N-(benzenecarboximidoyl)-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 156609884
N-[1-{[amino(4-methylphenyl)methylene]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-fluorobenzamide
CID 579462
N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 60426193
N-(2-acetyl-1-amino-3-oxo-1-butenyl)benzamide
CID 138962877
4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
CID 75453619
N-(4-fluorobenzyl)-3-methylbenzamide
CID 966004
N-[(2-Fluorophenyl)methyl]-3-methylbenzamide
CID 4128558
2-Fluoro-N-[2,2,2-trifluoro-1-[(4-methyl-benzimidoyl)-amino]-1-trifluoromethyl-ethyl]-benzamide
CID 9600796
N-[4,4-bis(trifluoromethyl)-2-(4-methylphenyl)-4,5-dihydro-1H-imidazol-5-ylidene]-4-methylbenzamide
CID 19927750
N-carbamimidoyl-4-fluoro-N-[4-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide
CID 22986987

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide (CID 162352998) is 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide is [H]/N=C(\NC(=O)c1ccccc1F)c1cccc(C)c1.
What is the InChIKey of 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide?
The InChIKey is CWRXPOVSBBEEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-5-4-6-11(9-10)14(17)18-15(19)12-7-2-3-8-13(12)16/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide?
2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide has a molecular weight of 256.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylbenzenecarboximidoyl)benzamide is sourced from PubChem (CID 162352998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).