N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide

C11H7ClF3N3O — CID 81257554

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)n1ccnc1
InChIInChI=1S/C11H7ClF3N3O/c12-8-5-7(11(13,14)15)1-2-9(8)17-10(19)18-4-3-16-6-18/h1-6H,(H,17,19)
InChIKeyNHEGBGTYSRMAHI-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.64
Rot. Bonds1

About N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide

N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide (PubChem CID 81257554) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
PubChem CID81257554
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)n1ccnc1
InChIInChI=1S/C11H7ClF3N3O/c12-8-5-7(11(13,14)15)1-2-9(8)17-10(19)18-4-3-16-6-18/h1-6H,(H,17,19)
InChIKeyNHEGBGTYSRMAHI-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
CID 114003640
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
CID 81258195
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
CID 81257010
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[2-(triazol-1-yl)ethyl]urea
CID 75502071
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide (CID 81257554) is N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1Cl)n1ccnc1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The InChIKey is NHEGBGTYSRMAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-8-5-7(11(13,14)15)1-2-9(8)17-10(19)18-4-3-16-6-18/h1-6H,(H,17,19).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 289.64 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).