5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

C20H16ClN3O2 — CID 11703339

IUPAC5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H16ClN3O2/c1-13-7-8-16(23-19(25)14-4-2-5-15(21)10-14)11-18(13)20(26)24-17-6-3-9-22-12-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyDVOQWWKVAUOPOI-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.55
Rot. Bonds4

About 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 11703339) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID11703339
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H16ClN3O2/c1-13-7-8-16(23-19(25)14-4-2-5-15(21)10-14)11-18(13)20(26)24-17-6-3-9-22-12-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyDVOQWWKVAUOPOI-UHFFFAOYSA-N
XLogP4.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 11703339) is 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is DVOQWWKVAUOPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-7-8-16(23-19(25)14-4-2-5-15(21)10-14)11-18(13)20(26)24-17-6-3-9-22-12-17/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 365.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 11703339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).