N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide

C14H18Br2N2O2 — CID 46687581

IUPACN-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(Br)cc2Br)CCO1
InChIInChI=1S/C14H18Br2N2O2/c1-9-8-18(5-6-20-9)10(2)14(19)17-13-4-3-11(15)7-12(13)16/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyRLUDNPGSKZNFGP-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.26
Rot. Bonds3

About N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide

N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide (PubChem CID 46687581) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide
PubChem CID46687581
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC NameN-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(Br)cc2Br)CCO1
InChIInChI=1S/C14H18Br2N2O2/c1-9-8-18(5-6-20-9)10(2)14(19)17-13-4-3-11(15)7-12(13)16/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyRLUDNPGSKZNFGP-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 31519985
N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 17432866
(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide
CID 96528519
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46677597
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
(2R)-2-[(2R)-2-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 98716581
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide (CID 46687581) is N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide is CC1CN(C(C)C(=O)Nc2ccc(Br)cc2Br)CCO1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide?
The InChIKey is RLUDNPGSKZNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-9-8-18(5-6-20-9)10(2)14(19)17-13-4-3-11(15)7-12(13)16/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide?
N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide has a molecular weight of 406.12 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 46687581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).