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

C17H19ClN2O — CID 63233676

IUPACN-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-10-20(15-8-6-14(19)7-9-15)17(21)13-5-4-12(2)16(18)11-13/h4-9,11H,3,10,19H2,1-2H3
InChIKeyWUJYUONLZJSFFE-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.29
Rot. Bonds4

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

N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide (PubChem CID 63233676) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
PubChem CID63233676
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-10-20(15-8-6-14(19)7-9-15)17(21)13-5-4-12(2)16(18)11-13/h4-9,11H,3,10,19H2,1-2H3
InChIKeyWUJYUONLZJSFFE-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63230488
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
CID 104669257
3-chloro-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 63195064
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
The IUPAC name of N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide (CID 63233676) is N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
The InChIKey is WUJYUONLZJSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-10-20(15-8-6-14(19)7-9-15)17(21)13-5-4-12(2)16(18)11-13/h4-9,11H,3,10,19H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide?
N-(4-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-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 63233676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).