N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide

C18H18FN3O2 — CID 23089912

IUPACN-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide
SMILESO=C(CC1NCc2ccccc2NC1=O)NCc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c19-14-7-3-1-5-12(14)10-21-17(23)9-16-18(24)22-15-8-4-2-6-13(15)11-20-16/h1-8,16,20H,9-11H2,(H,21,23)(H,22,24)
InChIKeyUONUDPPSCZSNPN-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.94
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide (PubChem CID 23089912) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide
PubChem CID23089912
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide
SMILESO=C(CC1NCc2ccccc2NC1=O)NCc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c19-14-7-3-1-5-12(14)10-21-17(23)9-16-18(24)22-15-8-4-2-6-13(15)11-20-16/h1-8,16,20H,9-11H2,(H,21,23)(H,22,24)
InChIKeyUONUDPPSCZSNPN-UHFFFAOYSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide (CID 23089912) is N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide is O=C(CC1NCc2ccccc2NC1=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide?
The InChIKey is UONUDPPSCZSNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-7-3-1-5-12(14)10-21-17(23)9-16-18(24)22-15-8-4-2-6-13(15)11-20-16/h1-8,16,20H,9-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl)acetamide is sourced from PubChem (CID 23089912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).