2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide

C17H18ClF3N4O — CID 109312178

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C17H18ClF3N4O/c1-2-3-4-8-22-15(26)14-7-9-23-16(25-14)24-13-6-5-11(18)10-12(13)17(19,20)21/h5-7,9-10H,2-4,8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeySBJLIIMIYHWDGN-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.81
Rot. Bonds7

About 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide

2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide (PubChem CID 109312178) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
PubChem CID109312178
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C17H18ClF3N4O/c1-2-3-4-8-22-15(26)14-7-9-23-16(25-14)24-13-6-5-11(18)10-12(13)17(19,20)21/h5-7,9-10H,2-4,8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeySBJLIIMIYHWDGN-UHFFFAOYSA-N
XLogP4.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202636
2-(4-chloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312120
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
N-butyl-6-[4-chloro-2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109340173
2-(3,4-dichloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312180
2-(2-bromo-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312167
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296867
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide (CID 109312178) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide?
The InChIKey is SBJLIIMIYHWDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c1-2-3-4-8-22-15(26)14-7-9-23-16(25-14)24-13-6-5-11(18)10-12(13)17(19,20)21/h5-7,9-10H,2-4,8H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109312178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).