methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate

C18H20ClNO4 — CID 134014900

IUPACmethyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H20ClNO4/c1-23-17(21)9-3-2-6-12-20-18(22)16-11-10-15(24-16)13-7-4-5-8-14(13)19/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,20,22)
InChIKeyRKDVQUJOGXBYBT-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.06
Rot. Bonds8

About methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate

methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate (PubChem CID 134014900) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
PubChem CID134014900
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Namemethyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H20ClNO4/c1-23-17(21)9-3-2-6-12-20-18(22)16-11-10-15(24-16)13-7-4-5-8-14(13)19/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,20,22)
InChIKeyRKDVQUJOGXBYBT-UHFFFAOYSA-N
XLogP4.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.06
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

N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024
5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
CID 3764379
methyl 6-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]hexanoate
CID 43404526
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate?
The IUPAC name of methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate (CID 134014900) is methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate?
The InChIKey is RKDVQUJOGXBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-23-17(21)9-3-2-6-12-20-18(22)16-11-10-15(24-16)13-7-4-5-8-14(13)19/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,20,22).
What are the key properties of methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate?
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate has a molecular weight of 349.81 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate is sourced from PubChem (CID 134014900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).