2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

C19H21BrN2O4 — CID 132666482

IUPAC2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O4/c1-13(26-15-9-7-14(20)8-10-15)18(23)22-17-6-4-3-5-16(17)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOWYUBVDJBLISOX-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.23
Rot. Bonds8

About 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 132666482) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID132666482
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O4/c1-13(26-15-9-7-14(20)8-10-15)18(23)22-17-6-4-3-5-16(17)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOWYUBVDJBLISOX-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-[2-(4-bromophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415608
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 132666482) is 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is OWYUBVDJBLISOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-13(26-15-9-7-14(20)8-10-15)18(23)22-17-6-4-3-5-16(17)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 421.29 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 132666482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).