N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide

C24H24FN3O2 — CID 56581398

IUPACN-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C24H24FN3O2/c25-20-8-5-9-21(28-14-3-4-15-28)23(20)27-22(29)12-13-26-24(30)19-11-10-17-6-1-2-7-18(17)16-19/h1-2,5-11,16H,3-4,12-15H2,(H,26,30)(H,27,29)
InChIKeyYGTIEQYQADVYRI-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.34
Rot. Bonds6

About N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide

N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 56581398) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID56581398
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C24H24FN3O2/c25-20-8-5-9-21(28-14-3-4-15-28)23(20)27-22(29)12-13-26-24(30)19-11-10-17-6-1-2-7-18(17)16-19/h1-2,5-11,16H,3-4,12-15H2,(H,26,30)(H,27,29)
InChIKeyYGTIEQYQADVYRI-UHFFFAOYSA-N
XLogP4.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568477
4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
CID 46589497
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
CID 56581470
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852451
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide (CID 56581398) is N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1c(F)cccc1N1CCCC1.
What is the InChIKey of N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is YGTIEQYQADVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-20-8-5-9-21(28-14-3-4-15-28)23(20)27-22(29)12-13-26-24(30)19-11-10-17-6-1-2-7-18(17)16-19/h1-2,5-11,16H,3-4,12-15H2,(H,26,30)(H,27,29).
What are the key properties of N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 56581398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).