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

C19H22FN3O — CID 119920994

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1CCNCc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-17-7-5-15(6-8-17)9-10-22-19(24)14-23-12-11-21-13-16-3-1-2-4-18(16)23/h1-8,21H,9-14H2,(H,22,24)
InChIKeyNWPURFYKZGMXQO-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.09
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 119920994) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
PubChem CID119920994
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1CCNCc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-17-7-5-15(6-8-17)9-10-22-19(24)14-23-12-11-21-13-16-3-1-2-4-18(16)23/h1-8,21H,9-14H2,(H,22,24)
InChIKeyNWPURFYKZGMXQO-UHFFFAOYSA-N
XLogP2.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999968
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024981
N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
CID 119921330
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8704403
N-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]acetamide
CID 63101501
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
1-(2-phenylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101061
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 31372103
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)butan-2-ol
CID 63100698

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide (CID 119920994) is N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide is O=C(CN1CCNCc2ccccc21)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is NWPURFYKZGMXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-7-5-15(6-8-17)9-10-22-19(24)14-23-12-11-21-13-16-3-1-2-4-18(16)23/h1-8,21H,9-14H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 119920994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).