(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate

C17H15ClFNO4 — CID 8788560

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H15ClFNO4/c1-23-12-7-5-11(6-8-12)17(22)20-9-16(21)24-10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyZRAXDSBGRNRZOW-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.96
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8788560) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID8788560
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H15ClFNO4/c1-23-12-7-5-11(6-8-12)17(22)20-9-16(21)24-10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyZRAXDSBGRNRZOW-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
(2-chloro-6-fluorophenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 42000511
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788015
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
N-[2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 7976843
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788019
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19410382
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate (CID 8788560) is (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is ZRAXDSBGRNRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-23-12-7-5-11(6-8-12)17(22)20-9-16(21)24-10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 351.76 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8788560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).