2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide

C20H21BrN2O2 — CID 53125880

IUPAC2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)Cc1ccccc1Br)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H21BrN2O2/c1-14(22-19(24)13-16-8-2-4-10-17(16)21)20(25)23-12-6-9-15-7-3-5-11-18(15)23/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,22,24)
InChIKeyGGWXAQBECNZYNI-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide

2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 53125880) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID53125880
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)Cc1ccccc1Br)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H21BrN2O2/c1-14(22-19(24)13-16-8-2-4-10-17(16)21)20(25)23-12-6-9-15-7-3-5-11-18(15)23/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,22,24)
InChIKeyGGWXAQBECNZYNI-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-(3-methoxyphenyl)acetamide
CID 53125892
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
CID 86881488
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide (CID 53125880) is 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide is CC(NC(=O)Cc1ccccc1Br)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is GGWXAQBECNZYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-14(22-19(24)13-16-8-2-4-10-17(16)21)20(25)23-12-6-9-15-7-3-5-11-18(15)23/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,22,24).
What are the key properties of 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide?
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 401.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 53125880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).