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

C18H21FN4O4 — CID 47071758

IUPACN-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)NCCNC(=O)c2ccoc2)cc1F
InChIInChI=1S/C18H21FN4O4/c1-12-2-3-13(10-15(12)19)16(24)20-5-7-22-18(26)23-8-6-21-17(25)14-4-9-27-11-14/h2-4,9-11H,5-8H2,1H3,(H,20,24)(H,21,25)(H2,22,23,26)
InChIKeyAAXSKDYDBRDHLF-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.19
Rot. Bonds8

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

N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide (PubChem CID 47071758) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
PubChem CID47071758
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC NameN-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)NCCNC(=O)c2ccoc2)cc1F
InChIInChI=1S/C18H21FN4O4/c1-12-2-3-13(10-15(12)19)16(24)20-5-7-22-18(26)23-8-6-21-17(25)14-4-9-27-11-14/h2-4,9-11H,5-8H2,1H3,(H,20,24)(H,21,25)(H2,22,23,26)
InChIKeyAAXSKDYDBRDHLF-UHFFFAOYSA-N
XLogP1.19
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
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-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 33329592
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide (CID 47071758) is N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)NCCNC(=O)c2ccoc2)cc1F.
What is the InChIKey of N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide?
The InChIKey is AAXSKDYDBRDHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-12-2-3-13(10-15(12)19)16(24)20-5-7-22-18(26)23-8-6-21-17(25)14-4-9-27-11-14/h2-4,9-11H,5-8H2,1H3,(H,20,24)(H,21,25)(H2,22,23,26).
What are the key properties of N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide?
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 47071758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).