N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide

C12H17ClN2O — CID 119583428

IUPACN-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-4-5-10(6-11(8)13)12(16)15(3)9(2)7-14/h4-6,9H,7,14H2,1-3H3
InChIKeyBQJZGVZESZKDGX-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.07
Rot. Bonds3

About N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide

N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide (PubChem CID 119583428) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
PubChem CID119583428
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-4-5-10(6-11(8)13)12(16)15(3)9(2)7-14/h4-6,9H,7,14H2,1-3H3
InChIKeyBQJZGVZESZKDGX-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride
CID 119583131

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide (CID 119583428) is N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(C)CN)cc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide?
The InChIKey is BQJZGVZESZKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-4-5-10(6-11(8)13)12(16)15(3)9(2)7-14/h4-6,9H,7,14H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide?
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide has a molecular weight of 240.73 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide is sourced from PubChem (CID 119583428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).