N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide

C15H16ClNO3 — CID 91938782

IUPACN-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Oc2ccccc2Cl)o1
InChIInChI=1S/C15H16ClNO3/c1-2-3-10-17-15(18)13-8-9-14(20-13)19-12-7-5-4-6-11(12)16/h4-9H,2-3,10H2,1H3,(H,17,18)
InChIKeyOTRMSXUWAZAUEV-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.26
Rot. Bonds6

About N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide

N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide (PubChem CID 91938782) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
PubChem CID91938782
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Oc2ccccc2Cl)o1
InChIInChI=1S/C15H16ClNO3/c1-2-3-10-17-15(18)13-8-9-14(20-13)19-12-7-5-4-6-11(12)16/h4-9H,2-3,10H2,1H3,(H,17,18)
InChIKeyOTRMSXUWAZAUEV-UHFFFAOYSA-N
XLogP4.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-phenoxyfuran-2-carboxamide
CID 127265058
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 91957682
[5-(tetradecylcarbamoyl)furan-2-yl] methanesulfonate
CID 175419711
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180839
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide?
The IUPAC name of N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide (CID 91938782) is N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide is CCCCNC(=O)c1ccc(Oc2ccccc2Cl)o1.
What is the InChIKey of N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide?
The InChIKey is OTRMSXUWAZAUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-2-3-10-17-15(18)13-8-9-14(20-13)19-12-7-5-4-6-11(12)16/h4-9H,2-3,10H2,1H3,(H,17,18).
What are the key properties of N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide?
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide is sourced from PubChem (CID 91938782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).