N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide

C17H19ClN2O — CID 63230488

IUPACN-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccccc1N
InChIInChI=1S/C17H19ClN2O/c1-3-10-20(16-7-5-4-6-15(16)19)17(21)13-9-8-12(2)14(18)11-13/h4-9,11H,3,10,19H2,1-2H3
InChIKeyIOXONBFXSCWBOA-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.29
Rot. Bonds4

About N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide

N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide (PubChem CID 63230488) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
PubChem CID63230488
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccccc1N
InChIInChI=1S/C17H19ClN2O/c1-3-10-20(16-7-5-4-6-15(16)19)17(21)13-9-8-12(2)14(18)11-13/h4-9,11H,3,10,19H2,1-2H3
InChIKeyIOXONBFXSCWBOA-UHFFFAOYSA-N
XLogP4.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
CID 65237112
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 107997538
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
CID 107986331
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
The IUPAC name of N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide (CID 63230488) is N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
The InChIKey is IOXONBFXSCWBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-10-20(16-7-5-4-6-15(16)19)17(21)13-9-8-12(2)14(18)11-13/h4-9,11H,3,10,19H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 63230488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).