2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide

C21H17FN2O2 — CID 577368

IUPAC2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1
InChIInChI=1S/C21H17FN2O2/c1-14-6-8-15(9-7-14)20(25)23-16-10-12-17(13-11-16)24-21(26)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyKHLBUULYSSYOLM-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.64
Rot. Bonds4

About 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide

2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 577368) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
PubChem CID577368
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1
InChIInChI=1S/C21H17FN2O2/c1-14-6-8-15(9-7-14)20(25)23-16-10-12-17(13-11-16)24-21(26)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyKHLBUULYSSYOLM-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide (CID 577368) is 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1.
What is the InChIKey of 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is KHLBUULYSSYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-6-8-15(9-7-14)20(25)23-16-10-12-17(13-11-16)24-21(26)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 577368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).