2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide

C24H24BrClN2O3 — CID 4969343

IUPAC2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N(C)CCOc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C24H24BrClN2O3/c1-28(14-15-31-20-11-8-18(25)9-12-20)23(17-6-4-3-5-7-17)24(29)27-19-10-13-22(30-2)21(26)16-19/h3-13,16,23H,14-15H2,1-2H3,(H,27,29)
InChIKeyMEXQAQKONLUVEO-UHFFFAOYSA-N
MW503.82 g/mol
LogP5.80
Rot. Bonds9

About 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide

2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide (PubChem CID 4969343) has the molecular formula C24H24BrClN2O3 and a molecular weight of 503.82 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
PubChem CID4969343
Molecular FormulaC24H24BrClN2O3
Molecular Weight503.82 g/mol
Exact Mass502.07
IUPAC Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N(C)CCOc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C24H24BrClN2O3/c1-28(14-15-31-20-11-8-18(25)9-12-20)23(17-6-4-3-5-7-17)24(29)27-19-10-13-22(30-2)21(26)16-19/h3-13,16,23H,14-15H2,1-2H3,(H,27,29)
InChIKeyMEXQAQKONLUVEO-UHFFFAOYSA-N
XLogP5.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.82
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-acetamidopropyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 86969454
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide
CID 85008705
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
N-[4-(3-chloro-4-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987213
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide (CID 4969343) is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide is COc1ccc(NC(=O)C(c2ccccc2)N(C)CCOc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is MEXQAQKONLUVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O3/c1-28(14-15-31-20-11-8-18(25)9-12-20)23(17-6-4-3-5-7-17)24(29)27-19-10-13-22(30-2)21(26)16-19/h3-13,16,23H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 503.82 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 4969343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).