N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide

C20H18N2O2 — CID 101277604

IUPACN-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide
SMILESNc1ccc(Cc2ccccc2NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C20H18N2O2/c21-17-10-8-14(9-11-17)12-15-4-1-2-7-19(15)22-20(24)16-5-3-6-18(23)13-16/h1-11,13,23H,12,21H2,(H,22,24)
InChIKeyITFJGNALKZNVPD-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.82
Rot. Bonds4

About N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide

N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide (PubChem CID 101277604) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide
PubChem CID101277604
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide
SMILESNc1ccc(Cc2ccccc2NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C20H18N2O2/c21-17-10-8-14(9-11-17)12-15-4-1-2-7-19(15)22-20(24)16-5-3-6-18(23)13-16/h1-11,13,23H,12,21H2,(H,22,24)
InChIKeyITFJGNALKZNVPD-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]-4-hydroxybenzamide
CID 101277605
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375
3-hydroxy-N-(2-iodophenyl)benzamide
CID 28826262
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-(2-fluoro-3-methylphenyl)-3-hydroxybenzamide
CID 113368406
3-hydroxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507958
N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107706038
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
N-(5-amino-2,4-difluorophenyl)-3-hydroxybenzamide
CID 43549881

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide (CID 101277604) is N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide is Nc1ccc(Cc2ccccc2NC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide?
The InChIKey is ITFJGNALKZNVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-17-10-8-14(9-11-17)12-15-4-1-2-7-19(15)22-20(24)16-5-3-6-18(23)13-16/h1-11,13,23H,12,21H2,(H,22,24).
What are the key properties of N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide?
N-[2-[(4-aminophenyl)methyl]phenyl]-3-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]-3-hydroxybenzamide is sourced from PubChem (CID 101277604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).