2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C18H17BrFNO — CID 55855389

IUPAC2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)NC1CCCc2ccccc21
InChIInChI=1S/C18H17BrFNO/c19-15-10-12(8-9-16(15)20)11-18(22)21-17-7-3-5-13-4-1-2-6-14(13)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H,21,22)
InChIKeyAMEXJEXACCDUBX-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.32
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 55855389) has the molecular formula C18H17BrFNO and a molecular weight of 362.24 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID55855389
Molecular FormulaC18H17BrFNO
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)NC1CCCc2ccccc21
InChIInChI=1S/C18H17BrFNO/c19-15-10-12(8-9-16(15)20)11-18(22)21-17-7-3-5-13-4-1-2-6-14(13)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H,21,22)
InChIKeyAMEXJEXACCDUBX-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92681011
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709138
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3-fluorophenyl)acetate
CID 8589815
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-3-ylacetamide
CID 7688469
5-bromo-6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470876
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 55855389) is 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(Cc1ccc(F)c(Br)c1)NC1CCCc2ccccc21.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is AMEXJEXACCDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO/c19-15-10-12(8-9-16(15)20)11-18(22)21-17-7-3-5-13-4-1-2-6-14(13)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H,21,22).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 362.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 55855389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).