2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C16H23Cl2N3O2 — CID 119514843

IUPAC2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-10(2)15(21)20-11-5-6-14(17)13(8-11)16(22)19-9-12-4-3-7-18-12;/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyAJMYAKIUSHXHHX-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119514843) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119514843
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-10(2)15(21)20-11-5-6-14(17)13(8-11)16(22)19-9-12-4-3-7-18-12;/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyAJMYAKIUSHXHHX-UHFFFAOYSA-N
XLogP2.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.84
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
2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511689
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119514843) is 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2CCCN2)c1.Cl.
What is the InChIKey of 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is AJMYAKIUSHXHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-10(2)15(21)20-11-5-6-14(17)13(8-11)16(22)19-9-12-4-3-7-18-12;/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119514843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).