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

C18H14Cl2N4O — CID 109303884

IUPACN-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-6-13(10-15(14)20)23-18-21-9-8-16(24-18)17(25)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25)(H,21,23,24)
InChIKeyNKNCEEVBDQEPOE-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

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

N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109303884) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109303884
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-6-13(10-15(14)20)23-18-21-9-8-16(24-18)17(25)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25)(H,21,23,24)
InChIKeyNKNCEEVBDQEPOE-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305444
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide (CID 109303884) is N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is NKNCEEVBDQEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-7-6-13(10-15(14)20)23-18-21-9-8-16(24-18)17(25)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25)(H,21,23,24).
What are the key properties of N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).