3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid

C14H12ClNO4 — CID 63795812

IUPAC3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H12ClNO4/c15-12-5-4-11(20-12)13(17)16-7-6-9-2-1-3-10(8-9)14(18)19/h1-5,8H,6-7H2,(H,16,17)(H,18,19)
InChIKeyJYBDRMCYZKPBQQ-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.60
Rot. Bonds5

About 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid

3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid (PubChem CID 63795812) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
PubChem CID63795812
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H12ClNO4/c15-12-5-4-11(20-12)13(17)16-7-6-9-2-1-3-10(8-9)14(18)19/h1-5,8H,6-7H2,(H,16,17)(H,18,19)
InChIKeyJYBDRMCYZKPBQQ-UHFFFAOYSA-N
XLogP2.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849
3-[2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 63794751
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid (CID 63795812) is 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)c2ccc(Cl)o2)c1.
What is the InChIKey of 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is JYBDRMCYZKPBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-12-5-4-11(20-12)13(17)16-7-6-9-2-1-3-10(8-9)14(18)19/h1-5,8H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 293.71 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63795812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).