2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

C26H23ClN4O3 — CID 11320426

IUPAC2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C26H23ClN4O3/c27-21-16-18(31-12-14-34-15-13-31)10-11-19(21)25(32)30-24-26(33)28-22-9-5-4-8-20(22)23(29-24)17-6-2-1-3-7-17/h1-11,16,24H,12-15H2,(H,28,33)(H,30,32)/t24-/m1/s1
InChIKeyJVDCENROCNHWMA-XMMPIXPASA-N
MW474.95 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 11320426) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
PubChem CID11320426
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C26H23ClN4O3/c27-21-16-18(31-12-14-34-15-13-31)10-11-19(21)25(32)30-24-26(33)28-22-9-5-4-8-20(22)23(29-24)17-6-2-1-3-7-17/h1-11,16,24H,12-15H2,(H,28,33)(H,30,32)/t24-/m1/s1
InChIKeyJVDCENROCNHWMA-XMMPIXPASA-N
XLogP3.72
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (CID 11320426) is 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is JVDCENROCNHWMA-XMMPIXPASA-N. The full InChI is InChI=1S/C26H23ClN4O3/c27-21-16-18(31-12-14-34-15-13-31)10-11-19(21)25(32)30-24-26(33)28-22-9-5-4-8-20(22)23(29-24)17-6-2-1-3-7-17/h1-11,16,24H,12-15H2,(H,28,33)(H,30,32)/t24-/m1/s1.
What are the key properties of 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide has a molecular weight of 474.95 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 11320426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).