3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C18H21BrN2O3 — CID 109031057

IUPAC3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O3/c1-23-16-6-8-17(9-7-16)24-13-12-21-18(22)10-11-20-15-4-2-14(19)3-5-15/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyLSJDOCUYGNWQKP-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.45
Rot. Bonds9

About 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 109031057) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID109031057
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O3/c1-23-16-6-8-17(9-7-16)24-13-12-21-18(22)10-11-20-15-4-2-14(19)3-5-15/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyLSJDOCUYGNWQKP-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.45
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

2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031043
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012798
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 109031057) is 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCNc2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is LSJDOCUYGNWQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-23-16-6-8-17(9-7-16)24-13-12-21-18(22)10-11-20-15-4-2-14(19)3-5-15/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 393.28 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 109031057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).