N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide

C19H22FNO2 — CID 55593206

IUPACN-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(F)cc1OC)c1ccccc1
InChIInChI=1S/C19H22FNO2/c1-4-13(2)18(14-8-6-5-7-9-14)19(22)21-16-11-10-15(20)12-17(16)23-3/h5-13,18H,4H2,1-3H3,(H,21,22)
InChIKeyUBJFPDDXRAWYNC-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.60
Rot. Bonds6

About N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide

N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide (PubChem CID 55593206) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
PubChem CID55593206
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(F)cc1OC)c1ccccc1
InChIInChI=1S/C19H22FNO2/c1-4-13(2)18(14-8-6-5-7-9-14)19(22)21-16-11-10-15(20)12-17(16)23-3/h5-13,18H,4H2,1-3H3,(H,21,22)
InChIKeyUBJFPDDXRAWYNC-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
CID 25477648
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
4-methoxy-N,N-dimethyl-3-[(3-methyl-2-phenylpentanoyl)amino]benzamide
CID 60537571
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
benzyl (3S)-3-amino-4-(4-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 114274759
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide (CID 55593206) is N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)Nc1ccc(F)cc1OC)c1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide?
The InChIKey is UBJFPDDXRAWYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-13(2)18(14-8-6-5-7-9-14)19(22)21-16-11-10-15(20)12-17(16)23-3/h5-13,18H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide?
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide has a molecular weight of 315.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 55593206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).