6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide

C17H11Cl2FN4O — CID 109358265

IUPAC6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2FN4O/c18-10-1-3-11(4-2-10)24-17(25)15-8-16(22-9-21-15)23-12-5-6-14(20)13(19)7-12/h1-9H,(H,24,25)(H,21,22,23)
InChIKeySITOCVGSLKONLH-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide

6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109358265) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
PubChem CID109358265
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2FN4O/c18-10-1-3-11(4-2-10)24-17(25)15-8-16(22-9-21-15)23-12-5-6-14(20)13(19)7-12/h1-9H,(H,24,25)(H,21,22,23)
InChIKeySITOCVGSLKONLH-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109358549
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
N-(3-chloro-4-fluorophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109358564
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340312
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357976
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide (CID 109358265) is 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is SITOCVGSLKONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-10-1-3-11(4-2-10)24-17(25)15-8-16(22-9-21-15)23-12-5-6-14(20)13(19)7-12/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).