methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate

C17H14ClF2NO3 — CID 55802942

IUPACmethyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H14ClF2NO3/c1-24-16(22)10-21(9-11-2-4-13(18)5-3-11)17(23)12-6-14(19)8-15(20)7-12/h2-8H,9-10H2,1H3
InChIKeyCZFWYMFLIPBEJW-UHFFFAOYSA-N
MW353.75 g/mol
LogP3.43
Rot. Bonds5

About methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate

methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate (PubChem CID 55802942) has the molecular formula C17H14ClF2NO3 and a molecular weight of 353.75 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate
PubChem CID55802942
Molecular FormulaC17H14ClF2NO3
Molecular Weight353.75 g/mol
Exact Mass353.06
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H14ClF2NO3/c1-24-16(22)10-21(9-11-2-4-13(18)5-3-11)17(23)12-6-14(19)8-15(20)7-12/h2-8H,9-10H2,1H3
InChIKeyCZFWYMFLIPBEJW-UHFFFAOYSA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224
methyl 2-[(4-chlorophenyl)methyl-[4-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 55802568
methyl 2-[(4-chlorophenyl)methyl-(4-cyanothiophene-2-carbonyl)amino]acetate
CID 71859445
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 75422754
methyl 2-[(4-chlorophenyl)methyl-[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]acetate
CID 87005816
methyl 2-[(4-chlorophenyl)methyl-[3-(phenylcarbamoylamino)propanoyl]amino]acetate
CID 55803002
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
methyl 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-[(4-chlorophenyl)methyl]amino]acetate
CID 55802571
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-3,5-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46100598

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate (CID 55802942) is methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate?
The InChIKey is CZFWYMFLIPBEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO3/c1-24-16(22)10-21(9-11-2-4-13(18)5-3-11)17(23)12-6-14(19)8-15(20)7-12/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate has a molecular weight of 353.75 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate is sourced from PubChem (CID 55802942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).