N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide

C15H13ClFN3O2 — CID 108896360

IUPACN-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H13ClFN3O2/c1-9(21)18-10-5-7-11(8-6-10)19-15(22)20-14-12(16)3-2-4-13(14)17/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyGXSUBIHOCMYMRD-UHFFFAOYSA-N
MW321.74 g/mol
LogP4.08
Rot. Bonds3

About N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide

N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide (PubChem CID 108896360) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
PubChem CID108896360
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H13ClFN3O2/c1-9(21)18-10-5-7-11(8-6-10)19-15(22)20-14-12(16)3-2-4-13(14)17/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyGXSUBIHOCMYMRD-UHFFFAOYSA-N
XLogP4.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991272
N-[4-(2,6-dichloroanilino)phenyl]acetamide
CID 112989665
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
1-(4-aminophenyl)-3-(2,6-difluorophenyl)urea
CID 43469078
1-(2,6-difluorophenyl)-3-(4-ethylphenyl)urea
CID 108991509
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
4-[(2,6-difluorophenyl)carbamoylamino]benzoic acid
CID 61196504
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide (CID 108896360) is N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is GXSUBIHOCMYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-9(21)18-10-5-7-11(8-6-10)19-15(22)20-14-12(16)3-2-4-13(14)17/h2-8H,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide?
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 321.74 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108896360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).