N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide

C21H19FN2O2 — CID 35350648

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C21H19FN2O2/c1-14-9-10-16(13-19(14)22)20(25)23-11-12-24-21(26)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyAXFSDGITGYQWGQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.45
Rot. Bonds5

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide (PubChem CID 35350648) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
PubChem CID35350648
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C21H19FN2O2/c1-14-9-10-16(13-19(14)22)20(25)23-11-12-24-21(26)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyAXFSDGITGYQWGQ-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108539666
6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
3-fluoro-N-[2-[[(E)-3-(2-fluorophenyl)but-2-enoyl]amino]ethyl]-4-methylbenzamide
CID 97435173
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
3-bromo-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2-hydroxy-5-methylbenzamide
CID 55939763
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide (CID 35350648) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2cccc3ccccc23)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is AXFSDGITGYQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14-9-10-16(13-19(14)22)20(25)23-11-12-24-21(26)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 35350648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).