4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide

C16H16FN3O2 — CID 86986467

IUPAC4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FN3O2/c1-18-15(21)12-7-5-11(6-8-12)10-19-16(22)20-14-4-2-3-13(17)9-14/h2-9H,10H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyKGQZJBHCPOETAU-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.51
Rot. Bonds4

About 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide

4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide (PubChem CID 86986467) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
PubChem CID86986467
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FN3O2/c1-18-15(21)12-7-5-11(6-8-12)10-19-16(22)20-14-4-2-3-13(17)9-14/h2-9H,10H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyKGQZJBHCPOETAU-UHFFFAOYSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
CID 46585354
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123043
4-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111876332
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide (CID 86986467) is 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide?
The InChIKey is KGQZJBHCPOETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-18-15(21)12-7-5-11(6-8-12)10-19-16(22)20-14-4-2-3-13(17)9-14/h2-9H,10H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide?
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 86986467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).