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

C14H12ClNO4 — CID 62883681

IUPAC3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccc(Cl)o1
InChIInChI=1S/C14H12ClNO4/c15-12-7-6-11(20-12)13(17)16-8-10(14(18)19)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,16,17)(H,18,19)
InChIKeyUOSQTKNDDCTCMD-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.53
Rot. Bonds5

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

3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62883681) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62883681
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccc(Cl)o1
InChIInChI=1S/C14H12ClNO4/c15-12-7-6-11(20-12)13(17)16-8-10(14(18)19)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,16,17)(H,18,19)
InChIKeyUOSQTKNDDCTCMD-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090
3-[4-(4-chlorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 119254555
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid (CID 62883681) is 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1ccc(Cl)o1.
What is the InChIKey of 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is UOSQTKNDDCTCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-12-7-6-11(20-12)13(17)16-8-10(14(18)19)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid?
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 293.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62883681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).