2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide

C17H24ClN3O2 — CID 96522501

IUPAC2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide
SMILESCC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)NC2)c1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)11(3)20-12-4-6-15(18)14(8-12)17(23)21-13-5-7-16(22)19-9-13/h4,6,8,10-11,13,20H,5,7,9H2,1-3H3,(H,19,22)(H,21,23)/t11-,13+/m1/s1
InChIKeyRKCYLODPAPDUDV-YPMHNXCESA-N
MW337.85 g/mol
LogP2.80
Rot. Bonds5

About 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide

2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide (PubChem CID 96522501) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide
PubChem CID96522501
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide
SMILESCC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)NC2)c1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)11(3)20-12-4-6-15(18)14(8-12)17(23)21-13-5-7-16(22)19-9-13/h4,6,8,10-11,13,20H,5,7,9H2,1-3H3,(H,19,22)(H,21,23)/t11-,13+/m1/s1
InChIKeyRKCYLODPAPDUDV-YPMHNXCESA-N
XLogP2.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide with MolForge

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Related Compounds

4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 60616997
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
CID 95324961
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 79832497
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The IUPAC name of 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide (CID 96522501) is 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide is CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)NC2)c1.
What is the InChIKey of 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The InChIKey is RKCYLODPAPDUDV-YPMHNXCESA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-10(2)11(3)20-12-4-6-15(18)14(8-12)17(23)21-13-5-7-16(22)19-9-13/h4,6,8,10-11,13,20H,5,7,9H2,1-3H3,(H,19,22)(H,21,23)/t11-,13+/m1/s1.
What are the key properties of 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide has a molecular weight of 337.85 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 96522501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).