N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide

C12H9ClF3N3O — CID 110861901

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H9ClF3N3O/c1-19-6-17-5-10(19)11(20)18-9-4-7(12(14,15)16)2-3-8(9)13/h2-6H,1H3,(H,18,20)
InChIKeyJZFHKLDZWLBDAI-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.34
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 110861901) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
PubChem CID110861901
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H9ClF3N3O/c1-19-6-17-5-10(19)11(20)18-9-4-7(12(14,15)16)2-3-8(9)13/h2-6H,1H3,(H,18,20)
InChIKeyJZFHKLDZWLBDAI-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103510962
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642583
methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
CID 110861825
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide (CID 110861901) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is JZFHKLDZWLBDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-19-6-17-5-10(19)11(20)18-9-4-7(12(14,15)16)2-3-8(9)13/h2-6H,1H3,(H,18,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 110861901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).