N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide

C27H23ClN2O — CID 22566924

IUPACN-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide
SMILESO=C(c1ccccc1-n1cccc1)N(Cc1ccc(Cl)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C27H23ClN2O/c28-23-13-11-20(12-14-23)19-30(24-17-21-7-1-2-8-22(21)18-24)27(31)25-9-3-4-10-26(25)29-15-5-6-16-29/h1-16,24H,17-19H2
InChIKeyZVEHFRHSSSIHJV-UHFFFAOYSA-N
MW426.95 g/mol
LogP5.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide

N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide (PubChem CID 22566924) has the molecular formula C27H23ClN2O and a molecular weight of 426.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide
PubChem CID22566924
Molecular FormulaC27H23ClN2O
Molecular Weight426.95 g/mol
Exact Mass426.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide
SMILESO=C(c1ccccc1-n1cccc1)N(Cc1ccc(Cl)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C27H23ClN2O/c28-23-13-11-20(12-14-23)19-30(24-17-21-7-1-2-8-22(21)18-24)27(31)25-9-3-4-10-26(25)29-15-5-6-16-29/h1-16,24H,17-19H2
InChIKeyZVEHFRHSSSIHJV-UHFFFAOYSA-N
XLogP5.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide 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-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide (CID 22566924) is N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide is O=C(c1ccccc1-n1cccc1)N(Cc1ccc(Cl)cc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide?
The InChIKey is ZVEHFRHSSSIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O/c28-23-13-11-20(12-14-23)19-30(24-17-21-7-1-2-8-22(21)18-24)27(31)25-9-3-4-10-26(25)29-15-5-6-16-29/h1-16,24H,17-19H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide?
N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide has a molecular weight of 426.95 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 22566924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).