(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate

C16H15Cl2NO4 — CID 55369171

IUPAC(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
SMILESO=C(CCCNC(=O)c1ccco1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO4/c17-12-6-5-11(13(18)9-12)10-23-15(20)4-1-7-19-16(21)14-3-2-8-22-14/h2-3,5-6,8-9H,1,4,7,10H2,(H,19,21)
InChIKeyUBQMZXSXZONNIO-UHFFFAOYSA-N
MW356.20 g/mol
LogP3.84
Rot. Bonds7

About (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate

(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate (PubChem CID 55369171) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.20 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
PubChem CID55369171
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.20 g/mol
Exact Mass355.04
IUPAC Name(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
SMILESO=C(CCCNC(=O)c1ccco1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO4/c17-12-6-5-11(13(18)9-12)10-23-15(20)4-1-7-19-16(21)14-3-2-8-22-14/h2-3,5-6,8-9H,1,4,7,10H2,(H,19,21)
InChIKeyUBQMZXSXZONNIO-UHFFFAOYSA-N
XLogP3.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 24557874
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 7629639
[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 4-(furan-2-carbonylamino)butanoate
CID 55458548
(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55552958
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 17424629
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
CID 86927049

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate?
The IUPAC name of (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate (CID 55369171) is (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate is O=C(CCCNC(=O)c1ccco1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate?
The InChIKey is UBQMZXSXZONNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c17-12-6-5-11(13(18)9-12)10-23-15(20)4-1-7-19-16(21)14-3-2-8-22-14/h2-3,5-6,8-9H,1,4,7,10H2,(H,19,21).
What are the key properties of (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate?
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate has a molecular weight of 356.20 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate is sourced from PubChem (CID 55369171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).