ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate

C14H18BrNO2 — CID 54890637

IUPACethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate
SMILESCCOC(=O)C(C)(Nc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H18BrNO2/c1-3-18-13(17)14(2,10-4-5-10)16-12-8-6-11(15)7-9-12/h6-10,16H,3-5H2,1-2H3
InChIKeyKVYOTSRPMZHRKF-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.59
Rot. Bonds5

About ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate

ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate (PubChem CID 54890637) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate
PubChem CID54890637
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nameethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate
SMILESCCOC(=O)C(C)(Nc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H18BrNO2/c1-3-18-13(17)14(2,10-4-5-10)16-12-8-6-11(15)7-9-12/h6-10,16H,3-5H2,1-2H3
InChIKeyKVYOTSRPMZHRKF-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390
ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
CID 63526274
ethyl 2-(4-bromoanilino)-2-ethyl-4-methylhexanoate
CID 63526210
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl 4-[(1S)-1-(4-bromophenyl)-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 125499935
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
ethyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472004
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
diethyl 2,2-bis(4-bromophenoxy)propanedioate
CID 154094216
2-(3-bromoanilino)-2-cyclopropylpropanoic acid
CID 60994138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate?
The IUPAC name of ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate (CID 54890637) is ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate.
What is the SMILES notation for ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate?
The canonical SMILES for ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate is CCOC(=O)C(C)(Nc1ccc(Br)cc1)C1CC1.
What is the InChIKey of ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate?
The InChIKey is KVYOTSRPMZHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-18-13(17)14(2,10-4-5-10)16-12-8-6-11(15)7-9-12/h6-10,16H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate?
ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate has a molecular weight of 312.21 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate is sourced from PubChem (CID 54890637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).