methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate

C11H13BrClNO2 — CID 43538645

IUPACmethyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7(11(15)16-2)6-14-10-4-3-8(12)5-9(10)13/h3-5,7,14H,6H2,1-2H3
InChIKeyYIVZJHNNVUYNLV-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.32
Rot. Bonds4

About methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate

methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate (PubChem CID 43538645) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
PubChem CID43538645
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Namemethyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7(11(15)16-2)6-14-10-4-3-8(12)5-9(10)13/h3-5,7,14H,6H2,1-2H3
InChIKeyYIVZJHNNVUYNLV-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
CID 129386301
methyl 3-(2-chloro-4-cyanoanilino)-2-methylpropanoate
CID 114003421
methyl 2-(4-bromo-2-chloroanilino)butanoate
CID 115352382
methyl (2R)-3-(5-bromo-2-nitroanilino)-2-methylpropanoate
CID 129386364
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
methyl 3-(4-bromo-2-chloroanilino)-2,2-dimethylpropanoate
CID 79624436
methyl 2-acetamido-3-(4-bromo-2-methylanilino)propanoate
CID 103232313
2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
CID 103237265
methyl 2-[(4-bromo-2-chloroanilino)methyl]benzoate
CID 43774895
3-(4-bromo-2-chloroanilino)propanamide
CID 43347354

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate?
The IUPAC name of methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate (CID 43538645) is methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate is COC(=O)C(C)CNc1ccc(Br)cc1Cl.
What is the InChIKey of methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate?
The InChIKey is YIVZJHNNVUYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(11(15)16-2)6-14-10-4-3-8(12)5-9(10)13/h3-5,7,14H,6H2,1-2H3.
What are the key properties of methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate?
methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate has a molecular weight of 306.59 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate is sourced from PubChem (CID 43538645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).