2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide

C15H11ClF3N3O2 — CID 55473015

IUPAC2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)cc1F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11ClF3N3O2/c16-8-1-4-13(12(19)5-8)22-15(24)20-7-14(23)21-9-2-3-10(17)11(18)6-9/h1-6H,7H2,(H,21,23)(H2,20,22,24)
InChIKeyXXRWHTAODLNDEO-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.52
Rot. Bonds4

About 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide

2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 55473015) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
PubChem CID55473015
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC Name2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)cc1F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11ClF3N3O2/c16-8-1-4-13(12(19)5-8)22-15(24)20-7-14(23)21-9-2-3-10(17)11(18)6-9/h1-6H,7H2,(H,21,23)(H2,20,22,24)
InChIKeyXXRWHTAODLNDEO-UHFFFAOYSA-N
XLogP3.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 61471205
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 47045808
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide (CID 55473015) is 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide is O=C(CNC(=O)Nc1ccc(Cl)cc1F)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is XXRWHTAODLNDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c16-8-1-4-13(12(19)5-8)22-15(24)20-7-14(23)21-9-2-3-10(17)11(18)6-9/h1-6H,7H2,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide?
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 357.72 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 55473015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).