N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide

C20H17NO2 — CID 9300498

IUPACN-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17NO2/c22-14-15-5-4-8-19(13-15)21-20(23)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,22H,14H2,(H,21,23)
InChIKeyRMKBBCKRANUELC-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.10
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide

N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide (PubChem CID 9300498) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide
PubChem CID9300498
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17NO2/c22-14-15-5-4-8-19(13-15)21-20(23)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,22H,14H2,(H,21,23)
InChIKeyRMKBBCKRANUELC-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide (CID 9300498) is N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide is O=C(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide?
The InChIKey is RMKBBCKRANUELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-14-15-5-4-8-19(13-15)21-20(23)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,22H,14H2,(H,21,23).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide?
N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide has a molecular weight of 303.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 9300498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).