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

C15H15ClN2O2 — CID 60973085

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H15ClN2O2/c1-20-14-7-2-10(8-13(14)17)9-18-15(19)11-3-5-12(16)6-4-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyXIQNYOLINIKXEC-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.86
Rot. Bonds4

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

N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide (PubChem CID 60973085) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
PubChem CID60973085
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H15ClN2O2/c1-20-14-7-2-10(8-13(14)17)9-18-15(19)11-3-5-12(16)6-4-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyXIQNYOLINIKXEC-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.86
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]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide (CID 60973085) is N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide is COc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide?
The InChIKey is XIQNYOLINIKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-7-2-10(8-13(14)17)9-18-15(19)11-3-5-12(16)6-4-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.86, 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]-4-chlorobenzamide is sourced from PubChem (CID 60973085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).