3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide

C16H16FN3O2 — CID 9474305

IUPAC3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C16H16FN3O2/c17-14-7-2-1-4-11(14)8-9-19-15(21)12-5-3-6-13(10-12)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22)
InChIKeyGNUMHGLBKLVPBS-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.29
Rot. Bonds5

About 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide

3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 9474305) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID9474305
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C16H16FN3O2/c17-14-7-2-1-4-11(14)8-9-19-15(21)12-5-3-6-13(10-12)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22)
InChIKeyGNUMHGLBKLVPBS-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

3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26312131
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
methyl 3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985257
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 9474305) is 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide is NC(=O)Nc1cccc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is GNUMHGLBKLVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-7-2-1-4-11(14)8-9-19-15(21)12-5-3-6-13(10-12)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22).
What are the key properties of 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide?
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]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 3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 9474305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).