2-chloro-5-(trifluoromethoxy)benzamide

C8H5ClF3NO2 — CID 119004987

IUPAC2-chloro-5-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKeyLZGPNJMSNIGXHQ-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-5-(trifluoromethoxy)benzamide

2-chloro-5-(trifluoromethoxy)benzamide (PubChem CID 119004987) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethoxy)benzamide
PubChem CID119004987
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name2-chloro-5-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKeyLZGPNJMSNIGXHQ-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171028846
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619078
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
benzoic acid;4,5-dichloro-2-[4-(trifluoromethoxy)phenoxy]benzamide
CID 175542248
(3-carbamoyl-4-chlorophenyl) methanesulfonate
CID 57422903
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482535

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethoxy)benzamide?
The IUPAC name of 2-chloro-5-(trifluoromethoxy)benzamide (CID 119004987) is 2-chloro-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-chloro-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-chloro-5-(trifluoromethoxy)benzamide is NC(=O)c1cc(OC(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethoxy)benzamide?
The InChIKey is LZGPNJMSNIGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14).
What are the key properties of 2-chloro-5-(trifluoromethoxy)benzamide?
2-chloro-5-(trifluoromethoxy)benzamide has a molecular weight of 239.58 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 119004987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).