2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide

C20H16ClN3O2 — CID 44561838

IUPAC2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13-4-2-5-14(10-13)19(25)23-15-7-8-18(21)17(11-15)20(26)24-16-6-3-9-22-12-16/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyLVVQLXPSOBFZTG-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide

2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44561838) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44561838
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13-4-2-5-14(10-13)19(25)23-15-7-8-18(21)17(11-15)20(26)24-16-6-3-9-22-12-16/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyLVVQLXPSOBFZTG-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 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44561838) is 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is LVVQLXPSOBFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-4-2-5-14(10-13)19(25)23-15-7-8-18(21)17(11-15)20(26)24-16-6-3-9-22-12-16/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-chloro-5-[(3-methylbenzoyl)amino]-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 2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44561838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).