2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide

C19H21ClFN3O3 — CID 49353575

IUPAC2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1c(C)cnc(CNC(=O)CCNC(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C19H21ClFN3O3/c1-11-9-23-16(12(2)18(11)27-3)10-24-17(25)6-7-22-19(26)14-5-4-13(21)8-15(14)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyDWYOQWYJFKJAME-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.94
Rot. Bonds7

About 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide

2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 49353575) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
PubChem CID49353575
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1c(C)cnc(CNC(=O)CCNC(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C19H21ClFN3O3/c1-11-9-23-16(12(2)18(11)27-3)10-24-17(25)6-7-22-19(26)14-5-4-13(21)8-15(14)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyDWYOQWYJFKJAME-UHFFFAOYSA-N
XLogP2.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 49353764
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
2-chloro-N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 51955720
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
CID 138557914
2-chloro-N-[3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-fluorobenzamide
CID 55761571
2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55786575
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide (CID 49353575) is 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide is COc1c(C)cnc(CNC(=O)CCNC(=O)c2ccc(F)cc2Cl)c1C.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is DWYOQWYJFKJAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-11-9-23-16(12(2)18(11)27-3)10-24-17(25)6-7-22-19(26)14-5-4-13(21)8-15(14)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide?
2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 393.85 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 49353575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).