3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H24Cl2N2O3 — CID 119450911

IUPAC3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNC2)cc(Cl)c1OCC(C)C.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-10(2)9-22-15-13(17)6-11(7-14(15)21-3)16(20)19-12-4-5-18-8-12;/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H,19,20);1H
InChIKeyHHSXXFFABLLVMS-UHFFFAOYSA-N
MW363.29 g/mol
LogP2.90
Rot. Bonds6

About 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119450911) has the molecular formula C16H24Cl2N2O3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119450911
Molecular FormulaC16H24Cl2N2O3
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNC2)cc(Cl)c1OCC(C)C.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-10(2)9-22-15-13(17)6-11(7-14(15)21-3)16(20)19-12-4-5-18-8-12;/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H,19,20);1H
InChIKeyHHSXXFFABLLVMS-UHFFFAOYSA-N
XLogP2.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 95782555
tert-butyl 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]piperidine-1-carboxylate
CID 55987274
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119450911) is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride is COc1cc(C(=O)NC2CCNC2)cc(Cl)c1OCC(C)C.Cl.
What is the InChIKey of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is HHSXXFFABLLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3.ClH/c1-10(2)9-22-15-13(17)6-11(7-14(15)21-3)16(20)19-12-4-5-18-8-12;/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119450911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).