4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride

C11H14Cl2N2O — CID 119722181

IUPAC4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(N)cc1Cl)C1CC1.Cl
InChIInChI=1S/C11H13ClN2O.ClH/c1-14(8-3-4-8)11(15)9-5-2-7(13)6-10(9)12;/h2,5-6,8H,3-4,13H2,1H3;1H
InChIKeyZSAZUSSKKJBPCG-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.58
Rot. Bonds2

About 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride

4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride (PubChem CID 119722181) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
PubChem CID119722181
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(N)cc1Cl)C1CC1.Cl
InChIInChI=1S/C11H13ClN2O.ClH/c1-14(8-3-4-8)11(15)9-5-2-7(13)6-10(9)12;/h2,5-6,8H,3-4,13H2,1H3;1H
InChIKeyZSAZUSSKKJBPCG-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
CID 119874360

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride (CID 119722181) is 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride is CN(C(=O)c1ccc(N)cc1Cl)C1CC1.Cl.
What is the InChIKey of 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride?
The InChIKey is ZSAZUSSKKJBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O.ClH/c1-14(8-3-4-8)11(15)9-5-2-7(13)6-10(9)12;/h2,5-6,8H,3-4,13H2,1H3;1H.
What are the key properties of 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride?
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride has a molecular weight of 261.15 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119722181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).