3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide

C16H15BrClNO2 — CID 26589795

IUPAC3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-11-14(18)6-3-7-15(11)19-16(20)8-9-21-13-5-2-4-12(17)10-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyKGPSRFKVNLJWFH-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.82
Rot. Bonds5

About 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide

3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 26589795) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID26589795
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-11-14(18)6-3-7-15(11)19-16(20)8-9-21-13-5-2-4-12(17)10-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyKGPSRFKVNLJWFH-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139420
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
2-(3-bromophenoxy)ethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036257
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 4501866
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chlorobenzoate
CID 31525526
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide (CID 26589795) is 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide is Cc1c(Cl)cccc1NC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is KGPSRFKVNLJWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11-14(18)6-3-7-15(11)19-16(20)8-9-21-13-5-2-4-12(17)10-13/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide?
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 26589795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).