6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

C17H11Cl2FN4O — CID 109359680

IUPAC6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2FN4O/c18-13-5-4-12(7-14(13)19)23-16-8-15(21-9-22-16)17(25)24-11-3-1-2-10(20)6-11/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyOIWIRMMBZPZJBW-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109359680) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109359680
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC Name6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2FN4O/c18-13-5-4-12(7-14(13)19)23-16-8-15(21-9-22-16)17(25)24-11-3-1-2-10(20)6-11/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyOIWIRMMBZPZJBW-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-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109359696
N-(2,3-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357229
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 109359680) is 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is OIWIRMMBZPZJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-13-5-4-12(7-14(13)19)23-16-8-15(21-9-22-16)17(25)24-11-3-1-2-10(20)6-11/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)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-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).