N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide

C12H10ClF6NO — CID 107490909

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)ccc1F)N(CCCl)CC(F)F
InChIInChI=1S/C12H10ClF6NO/c13-3-4-20(6-10(15)16)11(21)8-5-7(12(17,18)19)1-2-9(8)14/h1-2,5,10H,3-4,6H2
InChIKeyFSDYAZVLBPNUSC-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.79
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 107490909) has the molecular formula C12H10ClF6NO and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID107490909
Molecular FormulaC12H10ClF6NO
Molecular Weight333.66 g/mol
Exact Mass333.04
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)ccc1F)N(CCCl)CC(F)F
InChIInChI=1S/C12H10ClF6NO/c13-3-4-20(6-10(15)16)11(21)8-5-7(12(17,18)19)1-2-9(8)14/h1-2,5,10H,3-4,6H2
InChIKeyFSDYAZVLBPNUSC-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylsulfanylbenzamide
CID 107490901
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide
CID 107490960
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 114020515
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
N,N-bis(2-chloroethyl)-4-(trifluoromethyl)benzamide
CID 98658820
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide (CID 107490909) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide is O=C(c1cc(C(F)(F)F)ccc1F)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is FSDYAZVLBPNUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF6NO/c13-3-4-20(6-10(15)16)11(21)8-5-7(12(17,18)19)1-2-9(8)14/h1-2,5,10H,3-4,6H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 333.66 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 107490909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).