2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide

C11H13F2N3O2 — CID 86856275

IUPAC2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H13F2N3O2/c1-2-14-9(17)6-15-11(18)16-8-5-3-4-7(12)10(8)13/h3-5H,2,6H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyQJZOISYSXKNCEP-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.22
Rot. Bonds4

About 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide

2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide (PubChem CID 86856275) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
PubChem CID86856275
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H13F2N3O2/c1-2-14-9(17)6-15-11(18)16-8-5-3-4-7(12)10(8)13/h3-5H,2,6H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyQJZOISYSXKNCEP-UHFFFAOYSA-N
XLogP1.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
CID 86987364
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167999
2-[(2,3-difluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804061
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
ethyl 3-(2,3-difluoroanilino)-3-oxopropanoate
CID 110474181
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide (CID 86856275) is 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide is CCNC(=O)CNC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide?
The InChIKey is QJZOISYSXKNCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-2-14-9(17)6-15-11(18)16-8-5-3-4-7(12)10(8)13/h3-5H,2,6H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide?
2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide has a molecular weight of 257.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide is sourced from PubChem (CID 86856275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).