5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid

C16H16ClNO5 — CID 120551499

IUPAC5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCOc1ccc(Cl)cc1CCNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C16H16ClNO5/c1-2-22-13-4-3-12(17)7-10(13)5-6-18-15(19)14-8-11(9-23-14)16(20)21/h3-4,7-9H,2,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyVAGDJHPFPHRRED-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.00
Rot. Bonds7

About 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid

5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120551499) has the molecular formula C16H16ClNO5 and a molecular weight of 337.76 g/mol. Its IUPAC name is 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID120551499
Molecular FormulaC16H16ClNO5
Molecular Weight337.76 g/mol
Exact Mass337.07
IUPAC Name5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCOc1ccc(Cl)cc1CCNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C16H16ClNO5/c1-2-22-13-4-3-12(17)7-10(13)5-6-18-15(19)14-8-11(9-23-14)16(20)21/h3-4,7-9H,2,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyVAGDJHPFPHRRED-UHFFFAOYSA-N
XLogP3.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75390139
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
1-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123285
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
4-[2-(5-chloro-2-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122032254
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607308
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea
CID 124734048
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276
N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 139000638

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid (CID 120551499) is 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid is CCOc1ccc(Cl)cc1CCNC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is VAGDJHPFPHRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5/c1-2-22-13-4-3-12(17)7-10(13)5-6-18-15(19)14-8-11(9-23-14)16(20)21/h3-4,7-9H,2,5-6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid?
5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 337.76 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120551499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).