2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C18H9Cl2F5N4O — CID 150116370

IUPAC2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccc(F)c(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C18H9Cl2F5N4O/c19-11-5-8(1-3-13(11)21)27-16(30)10-7-26-17(29-15(10)18(23,24)25)28-9-2-4-14(22)12(20)6-9/h1-7H,(H,27,30)(H,26,28,29)
InChIKeyDYIDVNLXAFMKGX-UHFFFAOYSA-N
MW463.19 g/mol
LogP6.08
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 150116370) has the molecular formula C18H9Cl2F5N4O and a molecular weight of 463.19 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID150116370
Molecular FormulaC18H9Cl2F5N4O
Molecular Weight463.19 g/mol
Exact Mass462.01
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccc(F)c(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C18H9Cl2F5N4O/c19-11-5-8(1-3-13(11)21)27-16(30)10-7-26-17(29-15(10)18(23,24)25)28-9-2-4-14(22)12(20)6-9/h1-7H,(H,27,30)(H,26,28,29)
InChIKeyDYIDVNLXAFMKGX-UHFFFAOYSA-N
XLogP6.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.19
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10251496
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
N-(2-cyclopentylethyl)-2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 69040190
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
2-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10094871
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(3-chloroanilino)-N-[(2-chloro-4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321948
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 150116370) is 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccc(F)c(Cl)c2)nc1C(F)(F)F.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is DYIDVNLXAFMKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F5N4O/c19-11-5-8(1-3-13(11)21)27-16(30)10-7-26-17(29-15(10)18(23,24)25)28-9-2-4-14(22)12(20)6-9/h1-7H,(H,27,30)(H,26,28,29).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 463.19 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 150116370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).