N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H21FN2O3 — CID 48692333

IUPACN-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1F)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C20H21FN2O3/c21-17-8-4-3-7-15(17)19(25)22-9-10-23-20(26)16-11-13-5-1-2-6-14(13)12-18(16)24/h3-4,7-8,11-12,24H,1-2,5-6,9-10H2,(H,22,25)(H,23,26)
InChIKeyPGMFDADEYODNNA-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 48692333) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID48692333
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1F)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C20H21FN2O3/c21-17-8-4-3-7-15(17)19(25)22-9-10-23-20(26)16-11-13-5-1-2-6-14(13)12-18(16)24/h3-4,7-8,11-12,24H,1-2,5-6,9-10H2,(H,22,25)(H,23,26)
InChIKeyPGMFDADEYODNNA-UHFFFAOYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-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

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270035
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
2-fluoro-N-[2-oxo-2-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 9300987
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
[(2-fluorobenzoyl)amino]methanesulfinate
CID 174890470
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 48692333) is N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCNC(=O)c1ccccc1F)c1cc2c(cc1O)CCCC2.
What is the InChIKey of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is PGMFDADEYODNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-8-4-3-7-15(17)19(25)22-9-10-23-20(26)16-11-13-5-1-2-6-14(13)12-18(16)24/h3-4,7-8,11-12,24H,1-2,5-6,9-10H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 48692333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).