N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride

C14H22Cl2N2O — CID 3066360

IUPACN-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
SMILESCCN(CC)CCC(=O)Nc1cccc(Cl)c1C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)10-9-14(18)16-13-8-6-7-12(15)11(13)3;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKeyORMBHDIDOBCATA-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.74
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride

N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride (PubChem CID 3066360) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
PubChem CID3066360
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
SMILESCCN(CC)CCC(=O)Nc1cccc(Cl)c1C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)10-9-14(18)16-13-8-6-7-12(15)11(13)3;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKeyORMBHDIDOBCATA-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-4-acetotoluidide
CID 23537
Pentanochlor
CID 16826
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
N-(5-Chloro-2-methylphenyl)acetamide
CID 80000
N-(3-chloro-2-methylphenyl)acetamide
CID 81969
N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
N-(4-chloro-2-methylphenyl)-2-methylpropanamide
CID 885868
o-Propionotoluidide, 6'-chloro-2-(diethylamino)-, hydrochloride
CID 3060534
4-Chloro-2-methylacetanilide
CID 78877

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride (CID 3066360) is N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride is CCN(CC)CCC(=O)Nc1cccc(Cl)c1C.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
The InChIKey is ORMBHDIDOBCATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)10-9-14(18)16-13-8-6-7-12(15)11(13)3;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride is sourced from PubChem (CID 3066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).