N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride

C13H20Cl2N2O — CID 131885103

IUPACN-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(Cl)cc1C.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-4-16(5-2)9-13(17)15-12-7-6-11(14)8-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,15,17);1H
InChIKeyKWYBNBKSNVYAJH-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.35
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride

N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 131885103) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID131885103
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(Cl)cc1C.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-4-16(5-2)9-13(17)15-12-7-6-11(14)8-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,15,17);1H
InChIKeyKWYBNBKSNVYAJH-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107440209
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride (CID 131885103) is N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)Nc1ccc(Cl)cc1C.Cl.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is KWYBNBKSNVYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-4-16(5-2)9-13(17)15-12-7-6-11(14)8-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride?
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 131885103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).