N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide

C14H7ClF5NO — CID 2084506

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H7ClF5NO/c15-12-2-1-10(6-11(12)14(18,19)20)21-13(22)7-3-8(16)5-9(17)4-7/h1-6H,(H,21,22)
InChIKeyDHKHHYHZCMFCLM-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.89
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide (PubChem CID 2084506) has the molecular formula C14H7ClF5NO and a molecular weight of 335.66 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
PubChem CID2084506
Molecular FormulaC14H7ClF5NO
Molecular Weight335.66 g/mol
Exact Mass335.01
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H7ClF5NO/c15-12-2-1-10(6-11(12)14(18,19)20)21-13(22)7-3-8(16)5-9(17)4-7/h1-6H,(H,21,22)
InChIKeyDHKHHYHZCMFCLM-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(tetrazolidin-5-yl)benzamide
CID 73390436
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
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CID 17168215

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide (CID 2084506) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide?
The InChIKey is DHKHHYHZCMFCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF5NO/c15-12-2-1-10(6-11(12)14(18,19)20)21-13(22)7-3-8(16)5-9(17)4-7/h1-6H,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide has a molecular weight of 335.66 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 2084506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).