N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide

C15H11BrFN3O — CID 62317531

IUPACN-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
SMILESN#Cc1cc(NCC(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H11BrFN3O/c16-11-1-3-12(4-2-11)20-15(21)9-19-13-5-6-14(17)10(7-13)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyFCNDTDBVGYWDKO-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.51
Rot. Bonds4

About N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide

N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide (PubChem CID 62317531) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
PubChem CID62317531
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC NameN-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
SMILESN#Cc1cc(NCC(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H11BrFN3O/c16-11-1-3-12(4-2-11)20-15(21)9-19-13-5-6-14(17)10(7-13)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyFCNDTDBVGYWDKO-UHFFFAOYSA-N
XLogP3.51
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
CID 78994184
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
CID 62316993
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide (CID 62317531) is N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide is N#Cc1cc(NCC(=O)Nc2ccc(Br)cc2)ccc1F.
What is the InChIKey of N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide?
The InChIKey is FCNDTDBVGYWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c16-11-1-3-12(4-2-11)20-15(21)9-19-13-5-6-14(17)10(7-13)8-18/h1-7,19H,9H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide?
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide has a molecular weight of 348.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide is sourced from PubChem (CID 62317531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).