3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride

C12H18Cl2N2O — CID 163329159

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCN(C)C)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-9-4-5-10(8-11(9)13)12(16)14-6-7-15(2)3;/h4-5,8H,6-7H2,1-3H3,(H,14,16);1H
InChIKeyOVLRUSVVLMQTRU-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.36
Rot. Bonds4

About 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride

3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride (PubChem CID 163329159) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
PubChem CID163329159
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCN(C)C)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-9-4-5-10(8-11(9)13)12(16)14-6-7-15(2)3;/h4-5,8H,6-7H2,1-3H3,(H,14,16);1H
InChIKeyOVLRUSVVLMQTRU-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
(E)-3-[2-chloro-4-[2-(dimethylamino)ethylcarbamoyl]phenyl]prop-2-enoic acid
CID 81307404
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
N-[2-(dimethylamino)ethyl]-4-methyl-3-nitrobenzamide
CID 878179
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-chloro-N-cyano-4-methylbenzamide
CID 79194482
3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen
CID 156841303
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride (CID 163329159) is 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCN(C)C)cc1Cl.Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride?
The InChIKey is OVLRUSVVLMQTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-9-4-5-10(8-11(9)13)12(16)14-6-7-15(2)3;/h4-5,8H,6-7H2,1-3H3,(H,14,16);1H.
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride?
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 163329159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).