(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate

C21H24FNO4 — CID 42898534

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC
InChIInChI=1S/C21H24FNO4/c1-4-14(2)19(23-20(24)15-8-6-5-7-9-15)21(25)27-13-16-12-17(22)10-11-18(16)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,23,24)
InChIKeyVTNXNKWNOZRDCL-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.72
Rot. Bonds8

About (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate

(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate (PubChem CID 42898534) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate
PubChem CID42898534
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC
InChIInChI=1S/C21H24FNO4/c1-4-14(2)19(23-20(24)15-8-6-5-7-9-15)21(25)27-13-16-12-17(22)10-11-18(16)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,23,24)
InChIKeyVTNXNKWNOZRDCL-UHFFFAOYSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491975
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
(2-chloro-4-fluorophenyl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 55925684
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[1-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46521359
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24636072
cyanomethyl 2-benzamido-3-methylpentanoate
CID 90672841
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate (CID 42898534) is (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate is CCC(C)C(NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate?
The InChIKey is VTNXNKWNOZRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-4-14(2)19(23-20(24)15-8-6-5-7-9-15)21(25)27-13-16-12-17(22)10-11-18(16)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,23,24).
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate?
(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate has a molecular weight of 373.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate is sourced from PubChem (CID 42898534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).