3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide

C24H20FN3O3 — CID 11247070

IUPAC3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCOc1cc2c(cc1-c1ccc(F)cc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C
InChIInChI=1S/C24H20FN3O3/c1-28-20-12-21(31-2)18(14-6-8-17(25)9-7-14)11-19(20)23(27-13-22(28)29)15-4-3-5-16(10-15)24(26)30/h3-12H,13H2,1-2H3,(H2,26,30)
InChIKeyJFLFOEAUZMZRER-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.41
Rot. Bonds4

About 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide

3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide (PubChem CID 11247070) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide.

Molecular Properties

Compound Name3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
PubChem CID11247070
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCOc1cc2c(cc1-c1ccc(F)cc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C
InChIInChI=1S/C24H20FN3O3/c1-28-20-12-21(31-2)18(14-6-8-17(25)9-7-14)11-19(20)23(27-13-22(28)29)15-4-3-5-16(10-15)24(26)30/h3-12H,13H2,1-2H3,(H2,26,30)
InChIKeyJFLFOEAUZMZRER-UHFFFAOYSA-N
XLogP3.41
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

ND7001
CID 11418136
2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279109
5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279328
N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-4-methoxy-benzamide
CID 14208254
1-(2-Methoxy-5-methylbenzoyl)-4-(3-methoxyphenyl)piperazine
CID 38575305
2-[3-(1-benzyl-2-oxo-3H-1,4-benzodiazepin-5-yl)-4-methoxyphenyl]acetic acid
CID 59644708
2-[3-[1-[(4-fluorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 53495002
2-[4-methoxy-3-[1-[(4-methylphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70689411
2-[4-methoxy-3-[2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70691517
2-[4-methoxy-3-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70693612
2-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 70695720
4-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279108

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The IUPAC name of 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide (CID 11247070) is 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide.
What is the SMILES notation for 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The canonical SMILES for 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide is COc1cc2c(cc1-c1ccc(F)cc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C.
What is the InChIKey of 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
The InChIKey is JFLFOEAUZMZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-28-20-12-21(31-2)18(14-6-8-17(25)9-7-14)11-19(20)23(27-13-22(28)29)15-4-3-5-16(10-15)24(26)30/h3-12H,13H2,1-2H3,(H2,26,30).
What are the key properties of 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide?
3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-fluorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide is sourced from PubChem (CID 11247070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).