6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide

C17H16ClF3N4O — CID 109341546

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C17H16ClF3N4O/c18-13-6-5-11(7-12(13)17(19,20)21)24-15-8-14(22-9-23-15)16(26)25-10-3-1-2-4-10/h5-10H,1-4H2,(H,25,26)(H,22,23,24)
InChIKeyRSZCVQCXWDPVTB-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.56
Rot. Bonds4

About 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109341546) has the molecular formula C17H16ClF3N4O and a molecular weight of 384.79 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109341546
Molecular FormulaC17H16ClF3N4O
Molecular Weight384.79 g/mol
Exact Mass384.10
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C17H16ClF3N4O/c18-13-6-5-11(7-12(13)17(19,20)21)24-15-8-14(22-9-23-15)16(26)25-10-3-1-2-4-10/h5-10H,1-4H2,(H,25,26)(H,22,23,24)
InChIKeyRSZCVQCXWDPVTB-UHFFFAOYSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339784
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide (CID 109341546) is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is RSZCVQCXWDPVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O/c18-13-6-5-11(7-12(13)17(19,20)21)24-15-8-14(22-9-23-15)16(26)25-10-3-1-2-4-10/h5-10H,1-4H2,(H,25,26)(H,22,23,24).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109341546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).