2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

C17H11Cl2FN4O — CID 109318502

IUPAC2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H11Cl2FN4O/c18-13-5-4-12(9-14(13)19)23-17-21-7-6-15(24-17)16(25)22-11-3-1-2-10(20)8-11/h1-9H,(H,22,25)(H,21,23,24)
InChIKeyNXCOPUBNNCGFBD-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109318502) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109318502
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC Name2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H11Cl2FN4O/c18-13-5-4-12(9-14(13)19)23-17-21-7-6-15(24-17)16(25)22-11-3-1-2-10(20)8-11/h1-9H,(H,22,25)(H,21,23,24)
InChIKeyNXCOPUBNNCGFBD-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

N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109318480
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 109318502) is 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is NXCOPUBNNCGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-13-5-4-12(9-14(13)19)23-17-21-7-6-15(24-17)16(25)22-11-3-1-2-10(20)8-11/h1-9H,(H,22,25)(H,21,23,24).
What are the key properties of 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
2-(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 2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).