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

C15H12ClF2N3O2 — CID 42766016

IUPAC2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3O2/c16-12-7-11(5-6-13(12)18)21-15(23)19-8-14(22)20-10-3-1-9(17)2-4-10/h1-7H,8H2,(H,20,22)(H2,19,21,23)
InChIKeyBVUPCHOISUYXEA-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.38
Rot. Bonds4

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

2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 42766016) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID42766016
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3O2/c16-12-7-11(5-6-13(12)18)21-15(23)19-8-14(22)20-10-3-1-9(17)2-4-10/h1-7H,8H2,(H,20,22)(H2,19,21,23)
InChIKeyBVUPCHOISUYXEA-UHFFFAOYSA-N
XLogP3.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
(2S)-2-amino-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961362
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
2-[[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 46268732
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 42766016) is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is O=C(CNC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is BVUPCHOISUYXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c16-12-7-11(5-6-13(12)18)21-15(23)19-8-14(22)20-10-3-1-9(17)2-4-10/h1-7H,8H2,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 339.73 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42766016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).