N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide

C10H9ClF3NO — CID 145433545

IUPACN-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
SMILESO=CNCCc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO/c11-9-5-7(3-4-15-6-16)1-2-8(9)10(12,13)14/h1-2,5-6H,3-4H2,(H,15,16)
InChIKeyZNRJEWCJVOYAOF-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.65
Rot. Bonds4

About N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide

N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide (PubChem CID 145433545) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
PubChem CID145433545
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
SMILESO=CNCCc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO/c11-9-5-7(3-4-15-6-16)1-2-8(9)10(12,13)14/h1-2,5-6H,3-4H2,(H,15,16)
InChIKeyZNRJEWCJVOYAOF-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[3-chloro-4-(trifluoromethyl)phenyl]ethylamino]methyl]aniline
CID 166855353
methyl 3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 165488514
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
3-[4-iodo-3-(trifluoromethyl)phenyl]propanal
CID 134638258
3-[1-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethylamino]propyl]aniline
CID 166855355
N-[2-(4-iodophenyl)ethyl]formamide
CID 87658292
methyl (2R)-2-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 171238216
N-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]ethyl]formamide
CID 162579355
N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 69342163
methane;N-(2-phenylethyl)formamide
CID 143644399
3-[3-methoxy-4-(trifluoromethyl)phenyl]propanal
CID 134621964

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
The IUPAC name of N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide (CID 145433545) is N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide.
What is the SMILES notation for N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
The canonical SMILES for N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide is O=CNCCc1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
The InChIKey is ZNRJEWCJVOYAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-9-5-7(3-4-15-6-16)1-2-8(9)10(12,13)14/h1-2,5-6H,3-4H2,(H,15,16).
What are the key properties of N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide has a molecular weight of 251.63 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide is sourced from PubChem (CID 145433545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).