N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide

C9H4BrF3N2O — CID 168651471

IUPACN-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide
SMILESN#Cc1cc(Br)c(NC=O)cc1C(F)(F)F
InChIInChI=1S/C9H4BrF3N2O/c10-7-1-5(3-14)6(9(11,12)13)2-8(7)15-4-16/h1-2,4H,(H,15,16)
InChIKeyFSGVLDWFZRGJMJ-UHFFFAOYSA-N
MW293.04 g/mol
LogP2.91
Rot. Bonds2

About N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide

N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide (PubChem CID 168651471) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide
PubChem CID168651471
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC NameN-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide
SMILESN#Cc1cc(Br)c(NC=O)cc1C(F)(F)F
InChIInChI=1S/C9H4BrF3N2O/c10-7-1-5(3-14)6(9(11,12)13)2-8(7)15-4-16/h1-2,4H,(H,15,16)
InChIKeyFSGVLDWFZRGJMJ-UHFFFAOYSA-N
XLogP2.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(propan-2-ylamino)-2-(trifluoromethyl)benzonitrile
CID 134459997
N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 168520302
4-bromo-2,5-bis(trifluoromethyl)benzonitrile
CID 119007564
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
5-bromo-4-methoxy-2-(trifluoromethyl)benzonitrile
CID 117449217
(1Z)-2-amino-N-[2-bromo-4-cyano-5-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172932131
5-bromo-2-(trifluoromethyl)benzonitrile
CID 50998133
N-[2,4-dicyano-5-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
CID 16756279
(2R)-3-bromo-N-[4-cyano-2-methyl-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;ethane
CID 155732291
2-acetyl-5-bromo-4-(trifluoromethyl)benzonitrile
CID 171008277
N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide
CID 168653635
N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide
CID 168653043

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide (CID 168651471) is N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide is N#Cc1cc(Br)c(NC=O)cc1C(F)(F)F.
What is the InChIKey of N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is FSGVLDWFZRGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-7-1-5(3-14)6(9(11,12)13)2-8(7)15-4-16/h1-2,4H,(H,15,16).
What are the key properties of N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide?
N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 293.04 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168651471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).