2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide

C16H16FN3O2 — CID 108902156

IUPAC2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-12-7-5-11(6-8-12)9-10-19-16(22)20-14-4-2-1-3-13(14)15(18)21/h1-8H,9-10H2,(H2,18,21)(H2,19,20,22)
InChIKeyKWHARMGBXWHAIN-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide

2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide (PubChem CID 108902156) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
PubChem CID108902156
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-12-7-5-11(6-8-12)9-10-19-16(22)20-14-4-2-1-3-13(14)15(18)21/h1-8H,9-10H2,(H2,18,21)(H2,19,20,22)
InChIKeyKWHARMGBXWHAIN-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
methyl 2-[2-(4-methylphenyl)ethylcarbamoylamino]benzoate
CID 108891044
1-[2-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 11762084
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 60544080
tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate
CID 108864505
4-[2-[(2-methoxycarbonylphenyl)carbamoylamino]ethyl]benzoic acid
CID 170554504
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336
2-[(4-fluorophenyl)carbamothioylamino]benzamide
CID 969266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide (CID 108902156) is 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide is NC(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide?
The InChIKey is KWHARMGBXWHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-7-5-11(6-8-12)9-10-19-16(22)20-14-4-2-1-3-13(14)15(18)21/h1-8H,9-10H2,(H2,18,21)(H2,19,20,22).
What are the key properties of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide?
2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide has a molecular weight of 301.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide is sourced from PubChem (CID 108902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).