ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate

C14H15BrClNO3 — CID 103826852

IUPACethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(Cl)cc(Br)c1)C1CC1
InChIInChI=1S/C14H15BrClNO3/c1-2-20-13(18)8-17(12-3-4-12)14(19)9-5-10(15)7-11(16)6-9/h5-7,12H,2-4,8H2,1H3
InChIKeyMPVOLVUNXRXPPM-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.27
Rot. Bonds5

About ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate

ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate (PubChem CID 103826852) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
PubChem CID103826852
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Nameethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(Cl)cc(Br)c1)C1CC1
InChIInChI=1S/C14H15BrClNO3/c1-2-20-13(18)8-17(12-3-4-12)14(19)9-5-10(15)7-11(16)6-9/h5-7,12H,2-4,8H2,1H3
InChIKeyMPVOLVUNXRXPPM-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
CID 107952118
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
CID 107654415
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
CID 78987795
ethyl 2-[(4-bromo-3-nitrobenzoyl)-cyclopropylamino]acetate
CID 78904452
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate (CID 103826852) is ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1cc(Cl)cc(Br)c1)C1CC1.
What is the InChIKey of ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate?
The InChIKey is MPVOLVUNXRXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c1-2-20-13(18)8-17(12-3-4-12)14(19)9-5-10(15)7-11(16)6-9/h5-7,12H,2-4,8H2,1H3.
What are the key properties of ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate?
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate has a molecular weight of 360.64 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate is sourced from PubChem (CID 103826852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).