2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide

C11H13ClN2O — CID 62398884

IUPAC2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H13ClN2O/c1-6-4-10(6)14-11(15)8-3-2-7(12)5-9(8)13/h2-3,5-6,10H,4,13H2,1H3,(H,14,15)
InChIKeyLFMZPZFVADHOKJ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.06
Rot. Bonds2

About 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide

2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide (PubChem CID 62398884) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
PubChem CID62398884
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H13ClN2O/c1-6-4-10(6)14-11(15)8-3-2-7(12)5-9(8)13/h2-3,5-6,10H,4,13H2,1H3,(H,14,15)
InChIKeyLFMZPZFVADHOKJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
2-amino-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 115413150
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110103
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
CID 43822721
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide (CID 62398884) is 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide is CC1CC1NC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide?
The InChIKey is LFMZPZFVADHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-4-10(6)14-11(15)8-3-2-7(12)5-9(8)13/h2-3,5-6,10H,4,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide?
2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide has a molecular weight of 224.69 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 62398884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).