N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide

C15H15FN2O4 — CID 86920882

IUPACN-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccco2)c(F)c1
InChIInChI=1S/C15H15FN2O4/c1-21-10-4-5-11(12(16)9-10)14(19)17-6-7-18-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyUWIIFDHQVXBQDC-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 86920882) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID86920882
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC NameN-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccco2)c(F)c1
InChIInChI=1S/C15H15FN2O4/c1-21-10-4-5-11(12(16)9-10)14(19)17-6-7-18-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyUWIIFDHQVXBQDC-UHFFFAOYSA-N
XLogP1.59
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
CID 103951557
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
CID 43030744

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide (CID 86920882) is N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide is COc1ccc(C(=O)NCCNC(=O)c2ccco2)c(F)c1.
What is the InChIKey of N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is UWIIFDHQVXBQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-21-10-4-5-11(12(16)9-10)14(19)17-6-7-18-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 86920882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).