N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide

C14H11BrCl2N2O2 — CID 50881968

IUPACN-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1Br
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-3-2-7(4-8(13)15)14(20)19-12-6-9(16)11(18)5-10(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHUNRBJWYHCWLQA-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.60
Rot. Bonds3

About N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide

N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide (PubChem CID 50881968) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
PubChem CID50881968
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC NameN-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1Br
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-3-2-7(4-8(13)15)14(20)19-12-6-9(16)11(18)5-10(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHUNRBJWYHCWLQA-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-4-methoxybenzamide
CID 2281585

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide?
The IUPAC name of N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide (CID 50881968) is N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1Br.
What is the InChIKey of N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide?
The InChIKey is HUNRBJWYHCWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-13-3-2-7(4-8(13)15)14(20)19-12-6-9(16)11(18)5-10(12)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide?
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide has a molecular weight of 390.06 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 50881968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).