3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide

C20H14Cl2N2O2 — CID 1371682

IUPAC3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1N(C(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2N2O2/c1-13-5-4-10-23-18(13)24(19(25)14-6-2-8-16(21)11-14)20(26)15-7-3-9-17(22)12-15/h2-12H,1H3
InChIKeyOPHKMUHRCOJOGT-UHFFFAOYSA-N
MW385.25 g/mol
LogP5.18
Rot. Bonds3

About 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide

3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 1371682) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID1371682
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC Name3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1N(C(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2N2O2/c1-13-5-4-10-23-18(13)24(19(25)14-6-2-8-16(21)11-14)20(26)15-7-3-9-17(22)12-15/h2-12H,1H3
InChIKeyOPHKMUHRCOJOGT-UHFFFAOYSA-N
XLogP5.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-methylbenzoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 755239
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
3-chloro-N,N-dipropylbenzamide
CID 669182
methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 5146392
3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
CID 17013664
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 30161822
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
CID 67108892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide (CID 1371682) is 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1N(C(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is OPHKMUHRCOJOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c1-13-5-4-10-23-18(13)24(19(25)14-6-2-8-16(21)11-14)20(26)15-7-3-9-17(22)12-15/h2-12H,1H3.
What are the key properties of 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide?
3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 385.25 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1371682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).