N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide

C21H18N2O3 — CID 1265012

IUPACN-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)c1
InChIInChI=1S/C21H18N2O3/c1-14-3-2-4-16(13-14)21(26)23-17-7-5-15(6-8-17)20(25)22-18-9-11-19(24)12-10-18/h2-13,24H,1H3,(H,22,25)(H,23,26)
InChIKeyURXIMWYTVPYVGI-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.21
Rot. Bonds4

About N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide

N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 1265012) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide
PubChem CID1265012
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)c1
InChIInChI=1S/C21H18N2O3/c1-14-3-2-4-16(13-14)21(26)23-17-7-5-15(6-8-17)20(25)22-18-9-11-19(24)12-10-18/h2-13,24H,1H3,(H,22,25)(H,23,26)
InChIKeyURXIMWYTVPYVGI-UHFFFAOYSA-N
XLogP4.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide (CID 1265012) is N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)c1.
What is the InChIKey of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is URXIMWYTVPYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-3-2-4-16(13-14)21(26)23-17-7-5-15(6-8-17)20(25)22-18-9-11-19(24)12-10-18/h2-13,24H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide?
N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 1265012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).