2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide

C16H16ClF3N4O — CID 109262415

IUPAC2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C16H16ClF3N4O/c1-3-24(4-2)14(25)10-8-21-15(22-9-10)23-13-7-11(16(18,19)20)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,21,22,23)
InChIKeySKEMDOVCEHYQTP-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.37
Rot. Bonds5

About 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide

2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262415) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262415
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C16H16ClF3N4O/c1-3-24(4-2)14(25)10-8-21-15(22-9-10)23-13-7-11(16(18,19)20)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,21,22,23)
InChIKeySKEMDOVCEHYQTP-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252168
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262388
2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262430
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide (CID 109262415) is 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)nc1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is SKEMDOVCEHYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-3-24(4-2)14(25)10-8-21-15(22-9-10)23-13-7-11(16(18,19)20)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide?
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).