5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide

C12H17ClN2O — CID 82883709

IUPAC5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-10(13)8-11(9)12(16)15-7-3-6-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyCKAJNCSJQJZLQV-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.99
Rot. Bonds5

About 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide

5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide (PubChem CID 82883709) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
PubChem CID82883709
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-10(13)8-11(9)12(16)15-7-3-6-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyCKAJNCSJQJZLQV-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
2-methyl-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119430057
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide (CID 82883709) is 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide?
The InChIKey is CKAJNCSJQJZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-4-5-10(13)8-11(9)12(16)15-7-3-6-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide?
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide has a molecular weight of 240.73 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 82883709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).