N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide

C17H11Cl3N4O — CID 109268637

IUPACN-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C17H11Cl3N4O/c18-11-5-12(19)7-13(6-11)23-17-21-8-10(9-22-17)16(25)24-15-4-2-1-3-14(15)20/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyTXFLPGSCFQXYQR-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.43
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide (PubChem CID 109268637) has the molecular formula C17H11Cl3N4O and a molecular weight of 393.66 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
PubChem CID109268637
Molecular FormulaC17H11Cl3N4O
Molecular Weight393.66 g/mol
Exact Mass392.00
IUPAC NameN-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C17H11Cl3N4O/c18-11-5-12(19)7-13(6-11)23-17-21-8-10(9-22-17)16(25)24-15-4-2-1-3-14(15)20/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyTXFLPGSCFQXYQR-UHFFFAOYSA-N
XLogP5.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268616
2-(1,3-benzodioxol-5-ylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109268628
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578
2-(3,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380287
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide (CID 109268637) is N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide?
The InChIKey is TXFLPGSCFQXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O/c18-11-5-12(19)7-13(6-11)23-17-21-8-10(9-22-17)16(25)24-15-4-2-1-3-14(15)20/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide has a molecular weight of 393.66 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).