[2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate

C22H19NO3 — CID 58503573

IUPAC[2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate
SMILESCCc1cccc(-c2ccc(NC(=O)c3ccccc3OC=O)cc2)c1
InChIInChI=1S/C22H19NO3/c1-2-16-6-5-7-18(14-16)17-10-12-19(13-11-17)23-22(25)20-8-3-4-9-21(20)26-15-24/h3-15H,2H2,1H3,(H,23,25)
InChIKeyIHCFITXTDCVINE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.70
Rot. Bonds6

About [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate

[2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate (PubChem CID 58503573) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate.

Molecular Properties

Compound Name[2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate
PubChem CID58503573
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate
SMILESCCc1cccc(-c2ccc(NC(=O)c3ccccc3OC=O)cc2)c1
InChIInChI=1S/C22H19NO3/c1-2-16-6-5-7-18(14-16)17-10-12-19(13-11-17)23-22(25)20-8-3-4-9-21(20)26-15-24/h3-15H,2H2,1H3,(H,23,25)
InChIKeyIHCFITXTDCVINE-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(4-phenylphenyl)carbamoyl]phenyl] formate
CID 58503590
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
CID 123349577
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
3-formamido-2-hydroxy-N-(4-phenylphenyl)benzamide
CID 18551363
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate?
The IUPAC name of [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate (CID 58503573) is [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate.
What is the SMILES notation for [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate?
The canonical SMILES for [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate is CCc1cccc(-c2ccc(NC(=O)c3ccccc3OC=O)cc2)c1.
What is the InChIKey of [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate?
The InChIKey is IHCFITXTDCVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-16-6-5-7-18(14-16)17-10-12-19(13-11-17)23-22(25)20-8-3-4-9-21(20)26-15-24/h3-15H,2H2,1H3,(H,23,25).
What are the key properties of [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate?
[2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate has a molecular weight of 345.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(3-ethylphenyl)phenyl]carbamoyl]phenyl] formate is sourced from PubChem (CID 58503573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).