2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

C25H18Cl2N4O2 — CID 150867908

IUPAC2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C25H18Cl2N4O2/c26-21-9-7-18(13-20(21)23-5-1-2-11-30-23)31(15-16-4-3-10-29-14-16)25(33)19-8-6-17(24(28)32)12-22(19)27/h1-14H,15H2,(H2,28,32)
InChIKeyKTKZVVBPFCOXHX-UHFFFAOYSA-N
MW477.35 g/mol
LogP5.40
Rot. Bonds6

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 150867908) has the molecular formula C25H18Cl2N4O2 and a molecular weight of 477.35 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID150867908
Molecular FormulaC25H18Cl2N4O2
Molecular Weight477.35 g/mol
Exact Mass476.08
IUPAC Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C25H18Cl2N4O2/c26-21-9-7-18(13-20(21)23-5-1-2-11-30-23)31(15-16-4-3-10-29-14-16)25(33)19-8-6-17(24(28)32)12-22(19)27/h1-14H,15H2,(H2,28,32)
InChIKeyKTKZVVBPFCOXHX-UHFFFAOYSA-N
XLogP5.40
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 171424806
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 154248419
2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 67456409
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
CID 170123465
3-chloro-4-[(1S)-1-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 166870479
ethyl 4-[(2-chloro-5-nitrobenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 22781124
ethyl 4-[(2-chloro-4-methylbenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate
CID 23096335
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360522
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (CID 150867908) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is KTKZVVBPFCOXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O2/c26-21-9-7-18(13-20(21)23-5-1-2-11-30-23)31(15-16-4-3-10-29-14-16)25(33)19-8-6-17(24(28)32)12-22(19)27/h1-14H,15H2,(H2,28,32).
What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 477.35 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 150867908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).