2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid

C15H14ClNO4 — CID 60825317

IUPAC2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO4/c1-2-12-7-8-13(21-12)15(20)17(9-14(18)19)11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyCHDGOFBLQOWNBH-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid

2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid (PubChem CID 60825317) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
PubChem CID60825317
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO4/c1-2-12-7-8-13(21-12)15(20)17(9-14(18)19)11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyCHDGOFBLQOWNBH-UHFFFAOYSA-N
XLogP3.23
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 60826661
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
5-ethyl-N-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 52850973
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
2-(4-ethyl-N-propanoylanilino)acetic acid
CID 28766085
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid (CID 60825317) is 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid is CCc1ccc(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid?
The InChIKey is CHDGOFBLQOWNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-2-12-7-8-13(21-12)15(20)17(9-14(18)19)11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid?
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid has a molecular weight of 307.73 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60825317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).