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

C16H16BrFN2O — CID 63234104

IUPACN-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)cc1Br)c1ccc(N)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-9-20(13-6-4-12(19)5-7-13)16(21)14-8-3-11(18)10-15(14)17/h3-8,10H,2,9,19H2,1H3
InChIKeyUGOWVSSIGJLOES-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.23
Rot. Bonds4

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

N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide (PubChem CID 63234104) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
PubChem CID63234104
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)cc1Br)c1ccc(N)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-9-20(13-6-4-12(19)5-7-13)16(21)14-8-3-11(18)10-15(14)17/h3-8,10H,2,9,19H2,1H3
InChIKeyUGOWVSSIGJLOES-UHFFFAOYSA-N
XLogP4.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.23
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-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788
N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
CID 63233553
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739035
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide?
The IUPAC name of N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide (CID 63234104) is N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide is CCCN(C(=O)c1ccc(F)cc1Br)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide?
The InChIKey is UGOWVSSIGJLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-2-9-20(13-6-4-12(19)5-7-13)16(21)14-8-3-11(18)10-15(14)17/h3-8,10H,2,9,19H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide?
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide has a molecular weight of 351.22 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 63234104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).