methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate

C13H15ClFNO3 — CID 103876685

IUPACmethyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(Cl)c(F)c1)C(C)C
InChIInChI=1S/C13H15ClFNO3/c1-8(2)16(7-12(17)19-3)13(18)9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3
InChIKeyUVOHRFCQRLJXTK-UHFFFAOYSA-N
MW287.72 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate

methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate (PubChem CID 103876685) has the molecular formula C13H15ClFNO3 and a molecular weight of 287.72 g/mol. Its IUPAC name is methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
PubChem CID103876685
Molecular FormulaC13H15ClFNO3
Molecular Weight287.72 g/mol
Exact Mass287.07
IUPAC Namemethyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(Cl)c(F)c1)C(C)C
InChIInChI=1S/C13H15ClFNO3/c1-8(2)16(7-12(17)19-3)13(18)9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3
InChIKeyUVOHRFCQRLJXTK-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
methyl 2-[(3-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetate
CID 62680391
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
3-[(4-chloro-3-fluorobenzoyl)-ethylamino]butanoic acid
CID 114025721
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]-propan-2-ylamino]acetate
CID 78878012

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate (CID 103876685) is methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccc(Cl)c(F)c1)C(C)C.
What is the InChIKey of methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate?
The InChIKey is UVOHRFCQRLJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3/c1-8(2)16(7-12(17)19-3)13(18)9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate has a molecular weight of 287.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 103876685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).