N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide

C15H14Br2N2O — CID 107937517

IUPACN-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1Br)c1cccc(N)c1
InChIInChI=1S/C15H14Br2N2O/c1-2-19(12-5-3-4-11(18)9-12)15(20)13-7-6-10(16)8-14(13)17/h3-9H,2,18H2,1H3
InChIKeyFTYVKNAPFDUFJQ-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.46
Rot. Bonds3

About N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide

N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide (PubChem CID 107937517) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
PubChem CID107937517
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC NameN-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1Br)c1cccc(N)c1
InChIInChI=1S/C15H14Br2N2O/c1-2-19(12-5-3-4-11(18)9-12)15(20)13-7-6-10(16)8-14(13)17/h3-9H,2,18H2,1H3
InChIKeyFTYVKNAPFDUFJQ-UHFFFAOYSA-N
XLogP4.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.46
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)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751
N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
CID 115368567

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide?
The IUPAC name of N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide (CID 107937517) is N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide is CCN(C(=O)c1ccc(Br)cc1Br)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide?
The InChIKey is FTYVKNAPFDUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-2-19(12-5-3-4-11(18)9-12)15(20)13-7-6-10(16)8-14(13)17/h3-9H,2,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide?
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide has a molecular weight of 398.10 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide is sourced from PubChem (CID 107937517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).