2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide

C17H17F2N3O2 — CID 49285859

IUPAC2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCCc2ccccc2F)ccc1F
InChIInChI=1S/C17H17F2N3O2/c1-20-16(23)13-10-12(6-7-15(13)19)22-17(24)21-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyVNECJELOHFSKJE-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.69
Rot. Bonds5

About 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide

2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide (PubChem CID 49285859) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
PubChem CID49285859
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCCc2ccccc2F)ccc1F
InChIInChI=1S/C17H17F2N3O2/c1-20-16(23)13-10-12(6-7-15(13)19)22-17(24)21-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyVNECJELOHFSKJE-UHFFFAOYSA-N
XLogP2.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
CID 100616994
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 74242097
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
1-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]urea
CID 129366717
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
The IUPAC name of 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide (CID 49285859) is 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide is CNC(=O)c1cc(NC(=O)NCCc2ccccc2F)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
The InChIKey is VNECJELOHFSKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-20-16(23)13-10-12(6-7-15(13)19)22-17(24)21-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide has a molecular weight of 333.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 49285859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).