2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide

C17H24ClN3O2 — CID 120574011

IUPAC2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCNC2C)c1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-6-7-14(18)13(9-12)17(23)21-15-5-4-8-19-11(15)3/h6-7,9-11,15,19H,4-5,8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPFHVLGDBVQIIBP-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide

2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide (PubChem CID 120574011) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
PubChem CID120574011
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCNC2C)c1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-6-7-14(18)13(9-12)17(23)21-15-5-4-8-19-11(15)3/h6-7,9-11,15,19H,4-5,8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPFHVLGDBVQIIBP-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

5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 120574013
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 114695150
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide (CID 120574011) is 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCNC2C)c1.
What is the InChIKey of 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide?
The InChIKey is PFHVLGDBVQIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-6-7-14(18)13(9-12)17(23)21-15-5-4-8-19-11(15)3/h6-7,9-11,15,19H,4-5,8H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-(2-methylpiperidin-3-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-3-yl)-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 120574011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).