N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide

C15H14BrClN2O — CID 81290420

IUPACN-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1N
InChIInChI=1S/C15H14BrClN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-12(16)13(17)7-10/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyISECSYOIWLZCSW-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.50
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide

N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide (PubChem CID 81290420) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
PubChem CID81290420
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1N
InChIInChI=1S/C15H14BrClN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-12(16)13(17)7-10/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyISECSYOIWLZCSW-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide (CID 81290420) is N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide is CCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide?
The InChIKey is ISECSYOIWLZCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-12(16)13(17)7-10/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide?
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81290420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).