N-[4-(benzylamino)phenyl]-2-methoxybenzamide

C21H20N2O2 — CID 112981909

IUPACN-[4-(benzylamino)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-20-10-6-5-9-19(20)21(24)23-18-13-11-17(12-14-18)22-15-16-7-3-2-4-8-16/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyRIRSWTZAOGXYAO-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.56
Rot. Bonds6

About N-[4-(benzylamino)phenyl]-2-methoxybenzamide

N-[4-(benzylamino)phenyl]-2-methoxybenzamide (PubChem CID 112981909) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(benzylamino)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)phenyl]-2-methoxybenzamide
PubChem CID112981909
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[4-(benzylamino)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-20-10-6-5-9-19(20)21(24)23-18-13-11-17(12-14-18)22-15-16-7-3-2-4-8-16/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyRIRSWTZAOGXYAO-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
CID 162659038
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112985705
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112983392
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(benzylamino)phenyl]-2-methoxybenzamide (CID 112981909) is N-[4-(benzylamino)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(benzylamino)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(benzylamino)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylamino)phenyl]-2-methoxybenzamide?
The InChIKey is RIRSWTZAOGXYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-20-10-6-5-9-19(20)21(24)23-18-13-11-17(12-14-18)22-15-16-7-3-2-4-8-16/h2-14,22H,15H2,1H3,(H,23,24).
What are the key properties of N-[4-(benzylamino)phenyl]-2-methoxybenzamide?
N-[4-(benzylamino)phenyl]-2-methoxybenzamide has a molecular weight of 332.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 112981909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).