2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid

C16H16ClNO4 — CID 119193590

IUPAC2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H16ClNO4/c1-10-7-11(2)22-15(10)16(21)18(9-14(19)20)8-12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKeyFYFDROWRHAMZGJ-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.28
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid

2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid (PubChem CID 119193590) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
PubChem CID119193590
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H16ClNO4/c1-10-7-11(2)22-15(10)16(21)18(9-14(19)20)8-12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKeyFYFDROWRHAMZGJ-UHFFFAOYSA-N
XLogP3.28
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid
CID 119205196
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119193672
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
2-[(1-tert-butyl-1,2,4-triazole-3-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 138002762
2-[(2-butoxyacetyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193563
2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
CID 120517344
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[2-acetamidopropanoyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193678
2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193599
2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
CID 120686069
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid (CID 119193590) is 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid is Cc1cc(C)c(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid?
The InChIKey is FYFDROWRHAMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-10-7-11(2)22-15(10)16(21)18(9-14(19)20)8-12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid?
2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid has a molecular weight of 321.76 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119193590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).