2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide

C16H15BrClNO3 — CID 2953462

IUPAC2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H15BrClNO3/c1-10(22-13-6-3-11(17)4-7-13)16(20)19-12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyOWPCQJUIEQRQEO-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.52
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide

2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 2953462) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID2953462
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Name2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H15BrClNO3/c1-10(22-13-6-3-11(17)4-7-13)16(20)19-12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyOWPCQJUIEQRQEO-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 18083742
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 2953462) is 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is OWPCQJUIEQRQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-10(22-13-6-3-11(17)4-7-13)16(20)19-12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 384.66 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 2953462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).