2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide

C17H24ClN3O2 — CID 120598752

IUPAC2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCC1CC(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CCN1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-4-5-15(18)14(9-12)17(23)21-13-6-7-19-11(3)8-13/h4-5,9-11,13,19H,6-8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUVHJDNSMICOUHK-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide

2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide (PubChem CID 120598752) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
PubChem CID120598752
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCC1CC(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CCN1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-4-5-15(18)14(9-12)17(23)21-13-6-7-19-11(3)8-13/h4-5,9-11,13,19H,6-8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUVHJDNSMICOUHK-UHFFFAOYSA-N
XLogP2.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600845
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120600879

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide (CID 120598752) is 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide is CC1CC(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CCN1.
What is the InChIKey of 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
The InChIKey is UVHJDNSMICOUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-4-5-15(18)14(9-12)17(23)21-13-6-7-19-11(3)8-13/h4-5,9-11,13,19H,6-8H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide has a molecular weight of 337.85 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 120598752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).