(5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C24H19FN2O2 — CID 7025776

IUPAC(5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)C=Cc2ccccc2)[C@H](c2ccccc2)c2cc(F)ccc2N1
InChIInChI=1S/C24H19FN2O2/c25-19-12-13-21-20(15-19)24(18-9-5-2-6-10-18)27(16-22(28)26-21)23(29)14-11-17-7-3-1-4-8-17/h1-15,24H,16H2,(H,26,28)/t24-/m1/s1
InChIKeyQWNBJDBLVWADDB-XMMPIXPASA-N
MW386.43 g/mol
LogP4.41
Rot. Bonds3

About (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

(5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 7025776) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID7025776
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name(5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)C=Cc2ccccc2)[C@H](c2ccccc2)c2cc(F)ccc2N1
InChIInChI=1S/C24H19FN2O2/c25-19-12-13-21-20(15-19)24(18-9-5-2-6-10-18)27(16-22(28)26-21)23(29)14-11-17-7-3-1-4-8-17/h1-15,24H,16H2,(H,26,28)/t24-/m1/s1
InChIKeyQWNBJDBLVWADDB-XMMPIXPASA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-4-acetyl-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756220
(5S)-7-fluoro-5-phenyl-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756224
(5S)-4-(cyclopropanecarbonyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756230
(5S)-7-fluoro-4-(2-methylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756226
4-benzoyl-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 4604010
4-(3,5-dimethylbenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 3460460
(5R)-7-fluoro-4-(3-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050759
7-fluoro-4-(3-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5073728
(5R)-4-(cyclohexanecarbonyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050723
4-(adamantane-1-carbonyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 4099697
(5R)-7-fluoro-4-(3-methylbenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2160090
7-fluoro-4-(2-methoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 4229379

Frequently Asked Questions

What is the IUPAC name of (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 7025776) is (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C(=O)C=Cc2ccccc2)[C@H](c2ccccc2)c2cc(F)ccc2N1.
What is the InChIKey of (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is QWNBJDBLVWADDB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-19-12-13-21-20(15-19)24(18-9-5-2-6-10-18)27(16-22(28)26-21)23(29)14-11-17-7-3-1-4-8-17/h1-15,24H,16H2,(H,26,28)/t24-/m1/s1.
What are the key properties of (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
(5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 386.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-fluoro-5-phenyl-4-(3-phenylprop-2-enoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 7025776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).