N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide

C8H4ClF3N2O3 — CID 168651175

IUPACN-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H4ClF3N2O3/c9-5-2-7(14(16)17)6(13-3-15)1-4(5)8(10,11)12/h1-3H,(H,13,15)
InChIKeyUOIFFAMIADOPGX-UHFFFAOYSA-N
MW268.58 g/mol
LogP2.84
Rot. Bonds3

About N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide

N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide (PubChem CID 168651175) has the molecular formula C8H4ClF3N2O3 and a molecular weight of 268.58 g/mol. Its IUPAC name is N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide
PubChem CID168651175
Molecular FormulaC8H4ClF3N2O3
Molecular Weight268.58 g/mol
Exact Mass267.99
IUPAC NameN-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H4ClF3N2O3/c9-5-2-7(14(16)17)6(13-3-15)1-4(5)8(10,11)12/h1-3H,(H,13,15)
InChIKeyUOIFFAMIADOPGX-UHFFFAOYSA-N
XLogP2.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.58
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-4-methyl-2-nitrophenyl)formamide
CID 168653069
N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]-2-oxobutanamide
CID 54411831
3-[4-chloro-2-nitro-5-(trifluoromethyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342711
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
[5-chloro-2-nitro-4-(trifluoromethyl)anilino]oxy-methoxy-oxophosphanium
CID 174438746
N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2-hydroxy-2-oxo-1,2λ5-oxaphosphetan-4-amine
CID 151585241
3-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 154391342
1-chloro-2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)benzene
CID 171006784
(3S)-N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 9114084
(3R)-N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 9114085
N-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-methylpropanamide
CID 32651015

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide (CID 168651175) is N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide is O=CNc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is UOIFFAMIADOPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2O3/c9-5-2-7(14(16)17)6(13-3-15)1-4(5)8(10,11)12/h1-3H,(H,13,15).
What are the key properties of N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide?
N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 268.58 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168651175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).