3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide

C17H16F2N2O2 — CID 33319896

IUPAC3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cccc(F)c2)cc1F
InChIInChI=1S/C17H16F2N2O2/c1-11-5-6-13(10-15(11)19)17(23)21-8-7-20-16(22)12-3-2-4-14(18)9-12/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyDHEYEILOENZNHM-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.43
Rot. Bonds5

About 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide

3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide (PubChem CID 33319896) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
PubChem CID33319896
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cccc(F)c2)cc1F
InChIInChI=1S/C17H16F2N2O2/c1-11-5-6-13(10-15(11)19)17(23)21-8-7-20-16(22)12-3-2-4-14(18)9-12/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyDHEYEILOENZNHM-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide (CID 33319896) is 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)c2cccc(F)c2)cc1F.
What is the InChIKey of 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is DHEYEILOENZNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-5-6-13(10-15(11)19)17(23)21-8-7-20-16(22)12-3-2-4-14(18)9-12/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide?
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 318.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 33319896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).