N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide

C13H17ClN2O — CID 82883177

IUPACN-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-8-2-5-10(14)6-11(8)13(17)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyZJXXVDDEIJKKJZ-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.12
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide (PubChem CID 82883177) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
PubChem CID82883177
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-8-2-5-10(14)6-11(8)13(17)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyZJXXVDDEIJKKJZ-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119612673
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide (CID 82883177) is N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide?
The InChIKey is ZJXXVDDEIJKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-2-5-10(14)6-11(8)13(17)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide?
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide has a molecular weight of 252.75 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82883177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).