2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide

C18H17BrClNO3 — CID 108742340

IUPAC2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C18H17BrClNO3/c1-11(24-14-5-2-12(19)3-6-14)18(22)21-16-8-9-23-17-7-4-13(20)10-15(16)17/h2-7,10-11,16H,8-9H2,1H3,(H,21,22)
InChIKeyUMSZMZPIIXIATG-UHFFFAOYSA-N
MW410.70 g/mol
LogP4.51
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide

2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 108742340) has the molecular formula C18H17BrClNO3 and a molecular weight of 410.70 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID108742340
Molecular FormulaC18H17BrClNO3
Molecular Weight410.70 g/mol
Exact Mass409.01
IUPAC Name2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C18H17BrClNO3/c1-11(24-14-5-2-12(19)3-6-14)18(22)21-16-8-9-23-17-7-4-13(20)10-15(16)17/h2-7,10-11,16H,8-9H2,1H3,(H,21,22)
InChIKeyUMSZMZPIIXIATG-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphenoxy)propanamide
CID 46421464
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
(2S,3R)-3-amino-N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-phenylpropanamide
CID 124863977
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 55524308

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide (CID 108742340) is 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is UMSZMZPIIXIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClNO3/c1-11(24-14-5-2-12(19)3-6-14)18(22)21-16-8-9-23-17-7-4-13(20)10-15(16)17/h2-7,10-11,16H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 410.70 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 108742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).