2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide

C11H13ClN2O — CID 121222069

IUPAC2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H13ClN2O/c1-6-4-7(12)5-9(10(6)13)11(15)14-8-2-3-8/h4-5,8H,2-3,13H2,1H3,(H,14,15)
InChIKeyNWVDUHBUZOQDED-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide

2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide (PubChem CID 121222069) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
PubChem CID121222069
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H13ClN2O/c1-6-4-7(12)5-9(10(6)13)11(15)14-8-2-3-8/h4-5,8H,2-3,13H2,1H3,(H,14,15)
InChIKeyNWVDUHBUZOQDED-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
CID 170699654
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-amino-5-chloro-N-(cyanomethyl)-3-methylbenzamide
CID 150816609
2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide
CID 69132143
2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide
CID 59393586
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide (CID 121222069) is 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC2CC2)c1N.
What is the InChIKey of 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide?
The InChIKey is NWVDUHBUZOQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-4-7(12)5-9(10(6)13)11(15)14-8-2-3-8/h4-5,8H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide?
2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide has a molecular weight of 224.69 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide is sourced from PubChem (CID 121222069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).