2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide

C17H18FN3O2 — CID 772260

IUPAC2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
SMILESCCc1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-12-6-8-14(9-7-12)21-17(23)19-11-16(22)20-15-5-3-4-13(18)10-15/h3-10H,2,11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyAZLNELCGUIQDJB-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.15
Rot. Bonds5

About 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide

2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 772260) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
PubChem CID772260
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
SMILESCCc1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-12-6-8-14(9-7-12)21-17(23)19-11-16(22)20-15-5-3-4-13(18)10-15/h3-10H,2,11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyAZLNELCGUIQDJB-UHFFFAOYSA-N
XLogP3.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(4-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772170
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide (CID 772260) is 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide is CCc1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is AZLNELCGUIQDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-12-6-8-14(9-7-12)21-17(23)19-11-16(22)20-15-5-3-4-13(18)10-15/h3-10H,2,11H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide?
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 315.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 772260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).