N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide

C15H14Cl2N2O2 — CID 60972237

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1N
InChIInChI=1S/C15H14Cl2N2O2/c1-21-14-5-2-9(6-13(14)18)8-19-15(20)11-4-3-10(16)7-12(11)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyHTNHFAQDGCFGAJ-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.51
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide (PubChem CID 60972237) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
PubChem CID60972237
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1N
InChIInChI=1S/C15H14Cl2N2O2/c1-21-14-5-2-9(6-13(14)18)8-19-15(20)11-4-3-10(16)7-12(11)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyHTNHFAQDGCFGAJ-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.51
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-bromo-4-chlorobenzamide
CID 107986307
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
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
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
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide (CID 60972237) is N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide is COc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide?
The InChIKey is HTNHFAQDGCFGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-21-14-5-2-9(6-13(14)18)8-19-15(20)11-4-3-10(16)7-12(11)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide has a molecular weight of 325.20 g/mol, XLogP of 3.51, 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]-2,4-dichlorobenzamide is sourced from PubChem (CID 60972237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).