N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C19H16Cl2N4O — CID 99780178

IUPACN-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C19H16Cl2N4O/c1-11-9-12(2)23-19(22-11)25-14-5-3-13(4-6-14)18(26)24-15-7-8-16(20)17(21)10-15/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyYINHCUCWXULSSH-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 99780178) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID99780178
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C19H16Cl2N4O/c1-11-9-12(2)23-19(22-11)25-14-5-3-13(4-6-14)18(26)24-15-7-8-16(20)17(21)10-15/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyYINHCUCWXULSSH-UHFFFAOYSA-N
XLogP5.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796605
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
CID 108796510
3-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methylbenzoic acid
CID 108807870
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108807886
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 99780178) is N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is YINHCUCWXULSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-9-12(2)23-19(22-11)25-14-5-3-13(4-6-14)18(26)24-15-7-8-16(20)17(21)10-15/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 387.27 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 99780178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).