2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide

C20H22ClFN2O3 — CID 46435034

IUPAC2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3/c1-14(23-19(25)17-6-3-4-7-18(17)21)20(26)24(2)12-5-13-27-16-10-8-15(22)9-11-16/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,25)
InChIKeyFYMMPTBAYLYAON-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.52
Rot. Bonds8

About 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 46435034) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID46435034
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3/c1-14(23-19(25)17-6-3-4-7-18(17)21)20(26)24(2)12-5-13-27-16-10-8-15(22)9-11-16/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,25)
InChIKeyFYMMPTBAYLYAON-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 46688396
N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94458056
2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575810
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812
2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide (CID 46435034) is 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1Cl)C(=O)N(C)CCCOc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is FYMMPTBAYLYAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-14(23-19(25)17-6-3-4-7-18(17)21)20(26)24(2)12-5-13-27-16-10-8-15(22)9-11-16/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 392.86 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46435034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).