3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide

C20H16ClN3O2 — CID 1228415

IUPAC3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13-9-10-22-18(11-13)24-20(26)15-3-2-4-17(12-15)23-19(25)14-5-7-16(21)8-6-14/h2-12H,1H3,(H,23,25)(H,22,24,26)
InChIKeySQCQHDWUHBHROG-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.55
Rot. Bonds4

About 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide

3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 1228415) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID1228415
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13-9-10-22-18(11-13)24-20(26)15-3-2-4-17(12-15)23-19(25)14-5-7-16(21)8-6-14/h2-12H,1H3,(H,23,25)(H,22,24,26)
InChIKeySQCQHDWUHBHROG-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 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide (CID 1228415) is 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is SQCQHDWUHBHROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-9-10-22-18(11-13)24-20(26)15-3-2-4-17(12-15)23-19(25)14-5-7-16(21)8-6-14/h2-12H,1H3,(H,23,25)(H,22,24,26).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide 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 3-[(4-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1228415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).