3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide

C17H18FNO2 — CID 78892722

IUPAC3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1F
InChIInChI=1S/C17H18FNO2/c1-12(2)19(14-7-5-4-6-8-14)17(20)13-9-10-16(21-3)15(18)11-13/h4-12H,1-3H3
InChIKeyDLGVKBOQIIJQHW-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.89
Rot. Bonds4

About 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide

3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide (PubChem CID 78892722) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
PubChem CID78892722
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1F
InChIInChI=1S/C17H18FNO2/c1-12(2)19(14-7-5-4-6-8-14)17(20)13-9-10-16(21-3)15(18)11-13/h4-12H,1-3H3
InChIKeyDLGVKBOQIIJQHW-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
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CID 7991651
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-(2-bromoethyl)-3-fluoro-4-methoxy-N-propan-2-ylbenzamide
CID 80665485
1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 60621064
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
CID 914585
N-(3-fluoro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 126786798
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide (CID 78892722) is 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide?
The InChIKey is DLGVKBOQIIJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(2)19(14-7-5-4-6-8-14)17(20)13-9-10-16(21-3)15(18)11-13/h4-12H,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide?
3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 78892722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).