1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one

C24H21FN2O2 — CID 19243610

IUPAC1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2ccccc2F)C1=O
InChIInChI=1S/C24H21FN2O2/c1-17-15-26(24(29)18-9-3-2-4-10-18)21-13-7-8-14-22(21)27(23(17)28)16-19-11-5-6-12-20(19)25/h2-14,17H,15-16H2,1H3
InChIKeyDHYFYLVCPDEVKU-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.66
Rot. Bonds3

About 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one

1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 19243610) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID19243610
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2ccccc2F)C1=O
InChIInChI=1S/C24H21FN2O2/c1-17-15-26(24(29)18-9-3-2-4-10-18)21-13-7-8-14-22(21)27(23(17)28)16-19-11-5-6-12-20(19)25/h2-14,17H,15-16H2,1H3
InChIKeyDHYFYLVCPDEVKU-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-5-[(2,4-dichlorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243614
2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide
CID 19243644
1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243606
1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243669
1-benzoyl-3-methyl-5-[4-(4-methylphenoxy)butyl]-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243566
1-benzoyl-3-methyl-5-[2-(4-propan-2-ylphenoxy)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243670
1-benzoyl-3-methyl-5-[4-(4-propan-2-ylphenoxy)butyl]-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243584
1-benzoyl-5-[4-(2,3-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243575
2-ethyl-4-[(2-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 4278813
5-(2H-benzotriazole-5-carbonyl)-1,3-dimethyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 154742599
5-[(2-chlorophenyl)methyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 19243451
(3R)-3-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 40899873

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 19243610) is 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is CC1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2ccccc2F)C1=O.
What is the InChIKey of 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is DHYFYLVCPDEVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-17-15-26(24(29)18-9-3-2-4-10-18)21-13-7-8-14-22(21)27(23(17)28)16-19-11-5-6-12-20(19)25/h2-14,17H,15-16H2,1H3.
What are the key properties of 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 388.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 19243610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).