N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide

C24H21ClFN3O2 — CID 162648601

IUPACN-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H21ClFN3O2/c1-15(27-23(30)16-7-9-19(26)10-8-16)20-11-12-22-21(28-20)6-3-13-29(22)24(31)17-4-2-5-18(25)14-17/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,27,30)/t15-/m1/s1
InChIKeySIMXCKYAOCIFFA-OAHLLOKOSA-N
MW437.90 g/mol
LogP4.96
Rot. Bonds4

About N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide

N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide (PubChem CID 162648601) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
PubChem CID162648601
Molecular FormulaC24H21ClFN3O2
Molecular Weight437.90 g/mol
Exact Mass437.13
IUPAC NameN-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H21ClFN3O2/c1-15(27-23(30)16-7-9-19(26)10-8-16)20-11-12-22-21(28-20)6-3-13-29(22)24(31)17-4-2-5-18(25)14-17/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,27,30)/t15-/m1/s1
InChIKeySIMXCKYAOCIFFA-OAHLLOKOSA-N
XLogP4.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide with MolForge

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Related Compounds

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CID 10550047
(3-Chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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CID 11500992
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6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide (CID 162648601) is N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide is C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
The InChIKey is SIMXCKYAOCIFFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21ClFN3O2/c1-15(27-23(30)16-7-9-19(26)10-8-16)20-11-12-22-21(28-20)6-3-13-29(22)24(31)17-4-2-5-18(25)14-17/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,27,30)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide?
N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide has a molecular weight of 437.90 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 162648601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).