N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide

C20H18N2O2 — CID 101277605

IUPACN-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide
SMILESNc1ccc(Cc2ccccc2NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H18N2O2/c21-17-9-5-14(6-10-17)13-16-3-1-2-4-19(16)22-20(24)15-7-11-18(23)12-8-15/h1-12,23H,13,21H2,(H,22,24)
InChIKeyDSDJWTYLLFOEMX-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.82
Rot. Bonds4

About N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide

N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide (PubChem CID 101277605) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide
PubChem CID101277605
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide
SMILESNc1ccc(Cc2ccccc2NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H18N2O2/c21-17-9-5-14(6-10-17)13-16-3-1-2-4-19(16)22-20(24)15-7-11-18(23)12-8-15/h1-12,23H,13,21H2,(H,22,24)
InChIKeyDSDJWTYLLFOEMX-UHFFFAOYSA-N
XLogP3.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide
CID 101277604
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide (CID 101277605) is N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide is Nc1ccc(Cc2ccccc2NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide?
The InChIKey is DSDJWTYLLFOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-17-9-5-14(6-10-17)13-16-3-1-2-4-19(16)22-20(24)15-7-11-18(23)12-8-15/h1-12,23H,13,21H2,(H,22,24).
What are the key properties of N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide?
N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 101277605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).