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

C22H17ClFN3O2 — CID 68848669

IUPAC2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(F)cc(C2CC2)c1
InChIInChI=1S/C22H17ClFN3O2/c23-20-6-5-17(11-19(20)22(29)27-18-2-1-7-25-12-18)26-21(28)15-8-14(13-3-4-13)9-16(24)10-15/h1-2,5-13H,3-4H2,(H,26,28)(H,27,29)
InChIKeyZGMGMZWGSBKCNP-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.26
Rot. Bonds5

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

2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 68848669) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID68848669
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(F)cc(C2CC2)c1
InChIInChI=1S/C22H17ClFN3O2/c23-20-6-5-17(11-19(20)22(29)27-18-2-1-7-25-12-18)26-21(28)15-8-14(13-3-4-13)9-16(24)10-15/h1-2,5-13H,3-4H2,(H,26,28)(H,27,29)
InChIKeyZGMGMZWGSBKCNP-UHFFFAOYSA-N
XLogP5.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561918
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561916
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
CID 44561878
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958
6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 68848669) is 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide is O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(F)cc(C2CC2)c1.
What is the InChIKey of 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is ZGMGMZWGSBKCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c23-20-6-5-17(11-19(20)22(29)27-18-2-1-7-25-12-18)26-21(28)15-8-14(13-3-4-13)9-16(24)10-15/h1-2,5-13H,3-4H2,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 409.85 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-cyclopropyl-5-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 68848669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).