N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide

C15H14BrClN2O2 — CID 107986307

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2Br)cc1N
InChIInChI=1S/C15H14BrClN2O2/c1-21-14-5-2-9(6-13(14)18)8-19-15(20)11-4-3-10(17)7-12(11)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyDEEVDKJXNFXLDI-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.62
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide (PubChem CID 107986307) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
PubChem CID107986307
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2Br)cc1N
InChIInChI=1S/C15H14BrClN2O2/c1-21-14-5-2-9(6-13(14)18)8-19-15(20)11-4-3-10(17)7-12(11)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyDEEVDKJXNFXLDI-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.62
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

N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-[(3-amino-4-methoxyphenyl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80536756
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide (CID 107986307) is N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide is COc1ccc(CNC(=O)c2ccc(Cl)cc2Br)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide?
The InChIKey is DEEVDKJXNFXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-21-14-5-2-9(6-13(14)18)8-19-15(20)11-4-3-10(17)7-12(11)16/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide has a molecular weight of 369.65 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 107986307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).