methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate

C16H16BrNO2 — CID 162419710

IUPACmethyl 2-(4-bromo-N-methylanilino)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-18(14-10-8-13(17)9-11-14)15(16(19)20-2)12-6-4-3-5-7-12/h3-11,15H,1-2H3
InChIKeyYWDJZIGOGFZTOA-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate

methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate (PubChem CID 162419710) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-N-methylanilino)-2-phenylacetate
PubChem CID162419710
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Namemethyl 2-(4-bromo-N-methylanilino)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-18(14-10-8-13(17)9-11-14)15(16(19)20-2)12-6-4-3-5-7-12/h3-11,15H,1-2H3
InChIKeyYWDJZIGOGFZTOA-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2352315
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine ethyl ester
CID 59242
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, ethyl ester
CID 59464
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, butyl ester
CID 59710
N-(2-(Diethylamino)ethyl)-N,2-diphenylglycine isopentyl ester
CID 59738
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine propyl ester
CID 60416
N-Phenyl-N-phenylacetylaminophenylacetic acid methyl ester
CID 3068539
Glycine, N,2-diphenyl-N-(phenylacetyl)-, ethyl ester
CID 3068543
Carbanilic acid, N-(alpha-carboxybenzyl)-, dimethyl ester
CID 3068544
4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one
CID 56642278
Methyl 2-phenyl-2-phenylaminoacetate
CID 11195840
methyl 2-(4-fluorophenyl)-2-(N-methylanilino)pent-4-enoate
CID 146169611

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate?
The IUPAC name of methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate (CID 162419710) is methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate?
The canonical SMILES for methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate is COC(=O)C(c1ccccc1)N(C)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate?
The InChIKey is YWDJZIGOGFZTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-18(14-10-8-13(17)9-11-14)15(16(19)20-2)12-6-4-3-5-7-12/h3-11,15H,1-2H3.
What are the key properties of methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate?
methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate has a molecular weight of 334.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-N-methylanilino)-2-phenylacetate is sourced from PubChem (CID 162419710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).