5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide

C15H14ClFN2O3 — CID 33329592

IUPAC5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C15H14ClFN2O3/c1-9-2-3-10(8-11(9)17)14(20)18-6-7-19-15(21)12-4-5-13(16)22-12/h2-5,8H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyHQDDKWXPILSZBG-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide

5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 33329592) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID33329592
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C15H14ClFN2O3/c1-9-2-3-10(8-11(9)17)14(20)18-6-7-19-15(21)12-4-5-13(16)22-12/h2-5,8H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyHQDDKWXPILSZBG-UHFFFAOYSA-N
XLogP2.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.54
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-bromo-N-[4-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112839716
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide (CID 33329592) is 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)o2)cc1F.
What is the InChIKey of 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is HQDDKWXPILSZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-9-2-3-10(8-11(9)17)14(20)18-6-7-19-15(21)12-4-5-13(16)22-12/h2-5,8H,6-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide?
5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 324.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 33329592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).