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

C20H16ClN3O3 — CID 44561877

IUPAC2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C20H16ClN3O3/c1-27-16-6-2-4-13(10-16)19(25)23-14-7-8-18(21)17(11-14)20(26)24-15-5-3-9-22-12-15/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyQQNYXAGTHKTAIZ-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.25
Rot. Bonds5

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

2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44561877) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44561877
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C20H16ClN3O3/c1-27-16-6-2-4-13(10-16)19(25)23-14-7-8-18(21)17(11-14)20(26)24-15-5-3-9-22-12-15/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyQQNYXAGTHKTAIZ-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44561877) is 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide is COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is QQNYXAGTHKTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-16-6-2-4-13(10-16)19(25)23-14-7-8-18(21)17(11-14)20(26)24-15-5-3-9-22-12-15/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 381.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44561877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).