N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine

C24H23ClFN3O2 — CID 144743635

IUPACN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine
SMILESCc1ccccn1.NC(=O)CN(C(=O)c1ccccc1)C1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C18H16ClFN2O2.C6H7N/c19-12-8-14-13(15(20)9-12)6-7-16(14)22(10-17(21)23)18(24)11-4-2-1-3-5-11;1-6-4-2-3-5-7-6/h1-5,8-9,16H,6-7,10H2,(H2,21,23);2-5H,1H3
InChIKeyXKAGOXGMSNJNPC-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.48
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine

N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine (PubChem CID 144743635) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine
PubChem CID144743635
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine
SMILESCc1ccccn1.NC(=O)CN(C(=O)c1ccccc1)C1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C18H16ClFN2O2.C6H7N/c19-12-8-14-13(15(20)9-12)6-7-16(14)22(10-17(21)23)18(24)11-4-2-1-3-5-11;1-6-4-2-3-5-7-6/h1-5,8-9,16H,6-7,10H2,(H2,21,23);2-5H,1H3
InChIKeyXKAGOXGMSNJNPC-UHFFFAOYSA-N
XLogP4.48
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
CID 144743655
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
CID 144743692
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935355
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118936062
3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 118935802
N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 118935907
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118935240
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118936150
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118936078
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 118936149

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine (CID 144743635) is N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine is Cc1ccccn1.NC(=O)CN(C(=O)c1ccccc1)C1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine?
The InChIKey is XKAGOXGMSNJNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2.C6H7N/c19-12-8-14-13(15(20)9-12)6-7-16(14)22(10-17(21)23)18(24)11-4-2-1-3-5-11;1-6-4-2-3-5-7-6/h1-5,8-9,16H,6-7,10H2,(H2,21,23);2-5H,1H3.
What are the key properties of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine?
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine has a molecular weight of 439.92 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine is sourced from PubChem (CID 144743635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).