N-(2-aminopropyl)-2-chloro-4-methylbenzamide

C11H15ClN2O — CID 106862152

IUPACN-(2-aminopropyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7-3-4-9(10(12)5-7)11(15)14-6-8(2)13/h3-5,8H,6,13H2,1-2H3,(H,14,15)
InChIKeyOBCYRZJJZDJPDM-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.73
Rot. Bonds3

About N-(2-aminopropyl)-2-chloro-4-methylbenzamide

N-(2-aminopropyl)-2-chloro-4-methylbenzamide (PubChem CID 106862152) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-chloro-4-methylbenzamide
PubChem CID106862152
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-aminopropyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7-3-4-9(10(12)5-7)11(15)14-6-8(2)13/h3-5,8H,6,13H2,1-2H3,(H,14,15)
InChIKeyOBCYRZJJZDJPDM-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-chloro-3-methylbutyl)-4-methylbenzamide
CID 106864028
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-methylbenzamide
CID 106861296
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide
CID 143035979
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-2-chloro-4-methylbenzamide (CID 106862152) is N-(2-aminopropyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)N)c(Cl)c1.
What is the InChIKey of N-(2-aminopropyl)-2-chloro-4-methylbenzamide?
The InChIKey is OBCYRZJJZDJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-3-4-9(10(12)5-7)11(15)14-6-8(2)13/h3-5,8H,6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminopropyl)-2-chloro-4-methylbenzamide?
N-(2-aminopropyl)-2-chloro-4-methylbenzamide has a molecular weight of 226.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106862152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).