N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide

C18H19FN2O3 — CID 86779379

IUPACN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C(=O)N(C)C)c2ccccc2)ccc1F
InChIInChI=1S/C18H19FN2O3/c1-21(2)18(23)16(12-7-5-4-6-8-12)20-17(22)13-9-10-14(19)15(11-13)24-3/h4-11,16H,1-3H3,(H,20,22)
InChIKeyUTXWVOMFPKOZPH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide

N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide (PubChem CID 86779379) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide
PubChem CID86779379
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C(=O)N(C)C)c2ccccc2)ccc1F
InChIInChI=1S/C18H19FN2O3/c1-21(2)18(23)16(12-7-5-4-6-8-12)20-17(22)13-9-10-14(19)15(11-13)24-3/h4-11,16H,1-3H3,(H,20,22)
InChIKeyUTXWVOMFPKOZPH-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
(2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 81287847
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide (CID 86779379) is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC(C(=O)N(C)C)c2ccccc2)ccc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is UTXWVOMFPKOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-21(2)18(23)16(12-7-5-4-6-8-12)20-17(22)13-9-10-14(19)15(11-13)24-3/h4-11,16H,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide?
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 86779379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).