N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide

C16H16Br2N2O — CID 107971045

IUPACN-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(Br)cc(Br)c1)c1cccc(N)c1
InChIInChI=1S/C16H16Br2N2O/c1-2-6-20(15-5-3-4-14(19)10-15)16(21)11-7-12(17)9-13(18)8-11/h3-5,7-10H,2,6,19H2,1H3
InChIKeyYJDCVNVLXGGGPW-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.85
Rot. Bonds4

About N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide

N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide (PubChem CID 107971045) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
PubChem CID107971045
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(Br)cc(Br)c1)c1cccc(N)c1
InChIInChI=1S/C16H16Br2N2O/c1-2-6-20(15-5-3-4-14(19)10-15)16(21)11-7-12(17)9-13(18)8-11/h3-5,7-10H,2,6,19H2,1H3
InChIKeyYJDCVNVLXGGGPW-UHFFFAOYSA-N
XLogP4.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.85
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-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide
CID 63229640
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
CID 79095437
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide?
The IUPAC name of N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide (CID 107971045) is N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide is CCCN(C(=O)c1cc(Br)cc(Br)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide?
The InChIKey is YJDCVNVLXGGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-2-6-20(15-5-3-4-14(19)10-15)16(21)11-7-12(17)9-13(18)8-11/h3-5,7-10H,2,6,19H2,1H3.
What are the key properties of N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide?
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide has a molecular weight of 412.13 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide is sourced from PubChem (CID 107971045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).