2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide

C19H21ClFNO3 — CID 146098683

IUPAC2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide
SMILESCOc1cccc(CN(C)C(=O)C(C)Cl)c1OCc1ccccc1F
InChIInChI=1S/C19H21ClFNO3/c1-13(20)19(23)22(2)11-14-8-6-10-17(24-3)18(14)25-12-15-7-4-5-9-16(15)21/h4-10,13H,11-12H2,1-3H3
InChIKeyGLWOCIOGSJVVQL-UHFFFAOYSA-N
MW365.83 g/mol
LogP4.00
Rot. Bonds7

About 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide

2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide (PubChem CID 146098683) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide
PubChem CID146098683
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide
SMILESCOc1cccc(CN(C)C(=O)C(C)Cl)c1OCc1ccccc1F
InChIInChI=1S/C19H21ClFNO3/c1-13(20)19(23)22(2)11-14-8-6-10-17(24-3)18(14)25-12-15-7-4-5-9-16(15)21/h4-10,13H,11-12H2,1-3H3
InChIKeyGLWOCIOGSJVVQL-UHFFFAOYSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
CID 66527077
(2S)-2-(dimethylamino)-N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 97203312
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7135735
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 104684287
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide?
The IUPAC name of 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide (CID 146098683) is 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide is COc1cccc(CN(C)C(=O)C(C)Cl)c1OCc1ccccc1F.
What is the InChIKey of 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide?
The InChIKey is GLWOCIOGSJVVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-13(20)19(23)22(2)11-14-8-6-10-17(24-3)18(14)25-12-15-7-4-5-9-16(15)21/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide?
2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide has a molecular weight of 365.83 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 146098683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).