5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride

C14H22Cl2N2O2 — CID 119429780

IUPAC5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(Cl)ccc1OC(C)C.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-10(2)19-13-6-5-11(15)9-12(13)14(18)17-8-4-7-16-3;/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,17,18);1H
InChIKeyVRJCSGOKQFZVOI-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.89
Rot. Bonds7

About 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride

5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride (PubChem CID 119429780) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
PubChem CID119429780
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(Cl)ccc1OC(C)C.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-10(2)19-13-6-5-11(15)9-12(13)14(18)17-8-4-7-16-3;/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,17,18);1H
InChIKeyVRJCSGOKQFZVOI-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86832151
5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
CID 71844288
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 60571431
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride (CID 119429780) is 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride is CNCCCNC(=O)c1cc(Cl)ccc1OC(C)C.Cl.
What is the InChIKey of 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is VRJCSGOKQFZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-10(2)19-13-6-5-11(15)9-12(13)14(18)17-8-4-7-16-3;/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,17,18);1H.
What are the key properties of 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride?
5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 119429780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).