N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide

C15H15ClN2O3 — CID 56812733

IUPACN-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H15ClN2O3/c16-11-5-2-1-4-10(11)12-7-8-13(21-12)15(20)18-9-3-6-14(17)19/h1-2,4-5,7-8H,3,6,9H2,(H2,17,19)(H,18,20)
InChIKeyRRIRLENMYHVJTP-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.60
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide

N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide (PubChem CID 56812733) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
PubChem CID56812733
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H15ClN2O3/c16-11-5-2-1-4-10(11)12-7-8-13(21-12)15(20)18-9-3-6-14(17)19/h1-2,4-5,7-8H,3,6,9H2,(H2,17,19)(H,18,20)
InChIKeyRRIRLENMYHVJTP-UHFFFAOYSA-N
XLogP2.60
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.60
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-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
CID 134014900
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
5-(2-aminophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687714
5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
CID 70717961

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide (CID 56812733) is N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide is NC(=O)CCCNC(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide?
The InChIKey is RRIRLENMYHVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-5-2-1-4-10(11)12-7-8-13(21-12)15(20)18-9-3-6-14(17)19/h1-2,4-5,7-8H,3,6,9H2,(H2,17,19)(H,18,20).
What are the key properties of N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide?
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 56812733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).