[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate

C21H17ClN2O5 — CID 29498868

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccccc2Cl)o1)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H17ClN2O5/c22-16-9-5-4-8-15(16)17-10-11-18(29-17)20(26)28-13-19(25)24-21(27)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,25,27)
InChIKeyTXELBBWCJFYXKC-UHFFFAOYSA-N
MW412.83 g/mol
LogP3.78
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate

[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate (PubChem CID 29498868) has the molecular formula C21H17ClN2O5 and a molecular weight of 412.83 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
PubChem CID29498868
Molecular FormulaC21H17ClN2O5
Molecular Weight412.83 g/mol
Exact Mass412.08
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccccc2Cl)o1)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H17ClN2O5/c22-16-9-5-4-8-15(16)17-10-11-18(29-17)20(26)28-13-19(25)24-21(27)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,25,27)
InChIKeyTXELBBWCJFYXKC-UHFFFAOYSA-N
XLogP3.78
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485082
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593757
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509496
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 29498682
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 31671650

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate (CID 29498868) is [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccccc2Cl)o1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
The InChIKey is TXELBBWCJFYXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5/c22-16-9-5-4-8-15(16)17-10-11-18(29-17)20(26)28-13-19(25)24-21(27)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,25,27).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate has a molecular weight of 412.83 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 29498868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).