N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide

C27H23N3O2 — CID 141368489

IUPACN-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide
SMILESCc1cccc(O)c1C(=O)Nc1ccc(N2C=CCNc3c2ccc2ccccc32)cc1
InChIInChI=1S/C27H23N3O2/c1-18-6-4-9-24(31)25(18)27(32)29-20-11-13-21(14-12-20)30-17-5-16-28-26-22-8-3-2-7-19(22)10-15-23(26)30/h2-15,17,28,31H,16H2,1H3,(H,29,32)
InChIKeyZGNUTSNONVIWHD-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.18
Rot. Bonds3

About N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide

N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide (PubChem CID 141368489) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide
PubChem CID141368489
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC NameN-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide
SMILESCc1cccc(O)c1C(=O)Nc1ccc(N2C=CCNc3c2ccc2ccccc32)cc1
InChIInChI=1S/C27H23N3O2/c1-18-6-4-9-24(31)25(18)27(32)29-20-11-13-21(14-12-20)30-17-5-16-28-26-22-8-3-2-7-19(22)10-15-23(26)30/h2-15,17,28,31H,16H2,1H3,(H,29,32)
InChIKeyZGNUTSNONVIWHD-UHFFFAOYSA-N
XLogP6.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-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-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide?
The IUPAC name of N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide (CID 141368489) is N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide.
What is the SMILES notation for N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide?
The canonical SMILES for N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide is Cc1cccc(O)c1C(=O)Nc1ccc(N2C=CCNc3c2ccc2ccccc32)cc1.
What is the InChIKey of N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide?
The InChIKey is ZGNUTSNONVIWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-18-6-4-9-24(31)25(18)27(32)29-20-11-13-21(14-12-20)30-17-5-16-28-26-22-8-3-2-7-19(22)10-15-23(26)30/h2-15,17,28,31H,16H2,1H3,(H,29,32).
What are the key properties of N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide?
N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide has a molecular weight of 421.50 g/mol, XLogP of 6.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide is sourced from PubChem (CID 141368489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).