2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

C16H15F2N3O2 — CID 49277168

IUPAC2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15F2N3O2/c1-10-2-3-12(18)8-14(10)21-16(23)19-9-15(22)20-13-6-4-11(17)5-7-13/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyYYHXFPDKMOHCPX-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 49277168) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID49277168
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15F2N3O2/c1-10-2-3-12(18)8-14(10)21-16(23)19-9-15(22)20-13-6-4-11(17)5-7-13/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyYYHXFPDKMOHCPX-UHFFFAOYSA-N
XLogP3.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710
1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584022
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 49277168) is 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is Cc1ccc(F)cc1NC(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is YYHXFPDKMOHCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-10-2-3-12(18)8-14(10)21-16(23)19-9-15(22)20-13-6-4-11(17)5-7-13/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 319.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 49277168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).