N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide

C16H16BrClN2O — CID 107986331

IUPACN-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)cc1Br)c1ccccc1N
InChIInChI=1S/C16H16BrClN2O/c1-2-9-20(15-6-4-3-5-14(15)19)16(21)12-8-7-11(18)10-13(12)17/h3-8,10H,2,9,19H2,1H3
InChIKeyDXZNXDFUVXSXST-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.74
Rot. Bonds4

About N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide

N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide (PubChem CID 107986331) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
PubChem CID107986331
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)cc1Br)c1ccccc1N
InChIInChI=1S/C16H16BrClN2O/c1-2-9-20(15-6-4-3-5-14(15)19)16(21)12-8-7-11(18)10-13(12)17/h3-8,10H,2,9,19H2,1H3
InChIKeyDXZNXDFUVXSXST-UHFFFAOYSA-N
XLogP4.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.74
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-(2-aminophenyl)-2,5-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547864
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63230488
N-(2-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 62101480
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
CID 65237112

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide?
The IUPAC name of N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide (CID 107986331) is N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide is CCCN(C(=O)c1ccc(Cl)cc1Br)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide?
The InChIKey is DXZNXDFUVXSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-2-9-20(15-6-4-3-5-14(15)19)16(21)12-8-7-11(18)10-13(12)17/h3-8,10H,2,9,19H2,1H3.
What are the key properties of N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide?
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide has a molecular weight of 367.67 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide is sourced from PubChem (CID 107986331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).