N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide

C14H19BrN2O2 — CID 115177656

IUPACN-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)C1COCCN1
InChIInChI=1S/C14H19BrN2O2/c1-10-2-3-12(15)8-11(10)4-5-17-14(18)13-9-19-7-6-16-13/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyQJSVKDQASKLLDS-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide

N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide (PubChem CID 115177656) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
PubChem CID115177656
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)C1COCCN1
InChIInChI=1S/C14H19BrN2O2/c1-10-2-3-12(15)8-11(10)4-5-17-14(18)13-9-19-7-6-16-13/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyQJSVKDQASKLLDS-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[2-(7-methyl-1H-indol-3-yl)ethyl]morpholine-3-carboxamide
CID 119781320
N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119737995
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide (CID 115177656) is N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide is Cc1ccc(Br)cc1CCNC(=O)C1COCCN1.
What is the InChIKey of N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is QJSVKDQASKLLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-2-3-12(15)8-11(10)4-5-17-14(18)13-9-19-7-6-16-13/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide?
N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 115177656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).