2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide

C30H20Cl2N4O2 — CID 2222780

IUPAC2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2)cc1)c1ccccc1Cl
InChIInChI=1S/C30H20Cl2N4O2/c31-26-7-3-1-5-24(26)29(37)35-22-13-9-19(10-14-22)21-17-33-28(34-18-21)20-11-15-23(16-12-20)36-30(38)25-6-2-4-8-27(25)32/h1-18H,(H,35,37)(H,36,38)
InChIKeyUIPIYQNLOFSGLX-UHFFFAOYSA-N
MW539.42 g/mol
LogP7.62
Rot. Bonds6

About 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide

2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide (PubChem CID 2222780) has the molecular formula C30H20Cl2N4O2 and a molecular weight of 539.42 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide
PubChem CID2222780
Molecular FormulaC30H20Cl2N4O2
Molecular Weight539.42 g/mol
Exact Mass538.10
IUPAC Name2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2)cc1)c1ccccc1Cl
InChIInChI=1S/C30H20Cl2N4O2/c31-26-7-3-1-5-24(26)29(37)35-22-13-9-19(10-14-22)21-17-33-28(34-18-21)20-11-15-23(16-12-20)36-30(38)25-6-2-4-8-27(25)32/h1-18H,(H,35,37)(H,36,38)
InChIKeyUIPIYQNLOFSGLX-UHFFFAOYSA-N
XLogP7.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.42
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PD-180970
CID 5311104
2,4-Bisanilinopyrimidine, 10
CID 44139710
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
Bisanilinopyrimidine, 9m
CID 70702160
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
2-[(4-chlorophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327891
6-(2,6-dichlorophenyl)-8-methyl-2-[(4-methylphenyl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327893
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 57
CID 5327903
2-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}phenyl)acetic acid
CID 5327917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide (CID 2222780) is 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide is O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
The InChIKey is UIPIYQNLOFSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2N4O2/c31-26-7-3-1-5-24(26)29(37)35-22-13-9-19(10-14-22)21-17-33-28(34-18-21)20-11-15-23(16-12-20)36-30(38)25-6-2-4-8-27(25)32/h1-18H,(H,35,37)(H,36,38).
What are the key properties of 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide has a molecular weight of 539.42 g/mol, XLogP of 7.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-[4-[(2-chlorobenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide is sourced from PubChem (CID 2222780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).