2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide

C25H25N3O2 — CID 10524974

IUPAC2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-18-8-3-4-9-21(18)24(29)26-20-14-12-19(13-15-20)25(30)28-17-7-16-27(2)22-10-5-6-11-23(22)28/h3-6,8-15H,7,16-17H2,1-2H3,(H,26,29)
InChIKeyBMDKDGWTPVFWDF-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.73
Rot. Bonds3

About 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide

2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide (PubChem CID 10524974) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide
PubChem CID10524974
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-18-8-3-4-9-21(18)24(29)26-20-14-12-19(13-15-20)25(30)28-17-7-16-27(2)22-10-5-6-11-23(22)28/h3-6,8-15H,7,16-17H2,1-2H3,(H,26,29)
InChIKeyBMDKDGWTPVFWDF-UHFFFAOYSA-N
XLogP4.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide (CID 10524974) is 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide?
The InChIKey is BMDKDGWTPVFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-8-3-4-9-21(18)24(29)26-20-14-12-19(13-15-20)25(30)28-17-7-16-27(2)22-10-5-6-11-23(22)28/h3-6,8-15H,7,16-17H2,1-2H3,(H,26,29).
What are the key properties of 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide?
2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)phenyl]benzamide is sourced from PubChem (CID 10524974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).