2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109257438

IUPAC2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-5-3-6-15(8-14)24-18-22-10-13(11-23-18)17(25)21-9-12-4-1-2-7-16(12)20/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24)
InChIKeyMVFNSQUJUNFVLV-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide

2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257438) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257438
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-5-3-6-15(8-14)24-18-22-10-13(11-23-18)17(25)21-9-12-4-1-2-7-16(12)20/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24)
InChIKeyMVFNSQUJUNFVLV-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

N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
5-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]-2H-triazole-4-carboxamide
CID 50929138
N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792460
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide (CID 109257438) is 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide is O=C(NCc1ccccc1Cl)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is MVFNSQUJUNFVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-5-3-6-15(8-14)24-18-22-10-13(11-23-18)17(25)21-9-12-4-1-2-7-16(12)20/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-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 2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).