N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide

C10H13ClN2O3 — CID 106812546

IUPACN-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H13ClN2O3/c11-9-7(4-6-16-9)10(15)13-5-2-1-3-8(12)14/h4,6H,1-3,5H2,(H2,12,14)(H,13,15)
InChIKeyHEGQQWRMNRULIO-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.32
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide

N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide (PubChem CID 106812546) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
PubChem CID106812546
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC NameN-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H13ClN2O3/c11-9-7(4-6-16-9)10(15)13-5-2-1-3-8(12)14/h4,6H,1-3,5H2,(H2,12,14)(H,13,15)
InChIKeyHEGQQWRMNRULIO-UHFFFAOYSA-N
XLogP1.32
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.32
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

N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide (CID 106812546) is N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide is NC(=O)CCCCNC(=O)c1ccoc1Cl.
What is the InChIKey of N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide?
The InChIKey is HEGQQWRMNRULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-9-7(4-6-16-9)10(15)13-5-2-1-3-8(12)14/h4,6H,1-3,5H2,(H2,12,14)(H,13,15).
What are the key properties of N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide?
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106812546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).