5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide

C17H19ClN2O3 — CID 24503555

IUPAC5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O3/c1-11(2)16(21)19-9-10-20-17(22)15-8-7-14(23-15)12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDKUKQRRLZYFRAI-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.10
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide (PubChem CID 24503555) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
PubChem CID24503555
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O3/c1-11(2)16(21)19-9-10-20-17(22)15-8-7-14(23-15)12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDKUKQRRLZYFRAI-UHFFFAOYSA-N
XLogP3.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315
5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
CID 4919266
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 18286334
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 18161798

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide (CID 24503555) is 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide is CC(C)C(=O)NCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide?
The InChIKey is DKUKQRRLZYFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11(2)16(21)19-9-10-20-17(22)15-8-7-14(23-15)12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 24503555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).