2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide

C22H17ClN4O2 — CID 134802252

IUPAC2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide
SMILESN#Cc1cccnc1-c1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H17ClN4O2/c23-19-9-2-1-8-18(19)22(29)27-12-11-26-21(28)16-6-3-5-15(13-16)20-17(14-24)7-4-10-25-20/h1-10,13H,11-12H2,(H,26,28)(H,27,29)
InChIKeyJHTLKCWZXBCOJO-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.43
Rot. Bonds6

About 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide (PubChem CID 134802252) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide
PubChem CID134802252
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide
SMILESN#Cc1cccnc1-c1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H17ClN4O2/c23-19-9-2-1-8-18(19)22(29)27-12-11-26-21(28)16-6-3-5-15(13-16)20-17(14-24)7-4-10-25-20/h1-10,13H,11-12H2,(H,26,28)(H,27,29)
InChIKeyJHTLKCWZXBCOJO-UHFFFAOYSA-N
XLogP3.43
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 169415366
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78868278
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
3-(3-cyano-2-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 119064430
3-(3-cyano-2-pyridinyl)-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 126434405
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide (CID 134802252) is 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide is N#Cc1cccnc1-c1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is JHTLKCWZXBCOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-19-9-2-1-8-18(19)22(29)27-12-11-26-21(28)16-6-3-5-15(13-16)20-17(14-24)7-4-10-25-20/h1-10,13H,11-12H2,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 404.86 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 134802252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).