(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate

C18H18FNO3 — CID 60541514

IUPAC(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate
SMILESCC(CC(=O)OCc1cccc(C(N)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-12(14-5-7-16(19)8-6-14)9-17(21)23-11-13-3-2-4-15(10-13)18(20)22/h2-8,10,12H,9,11H2,1H3,(H2,20,22)
InChIKeyFURLJINXFXDEPU-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.16
Rot. Bonds6

About (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate

(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate (PubChem CID 60541514) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate
PubChem CID60541514
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate
SMILESCC(CC(=O)OCc1cccc(C(N)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-12(14-5-7-16(19)8-6-14)9-17(21)23-11-13-3-2-4-15(10-13)18(20)22/h2-8,10,12H,9,11H2,1H3,(H2,20,22)
InChIKeyFURLJINXFXDEPU-UHFFFAOYSA-N
XLogP3.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
(3-carbamoylphenyl)methyl 2-ethylbutanoate
CID 60562017
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 76861544
(3-carbamoylphenyl) 3-phenylbutanoate
CID 87014037
methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate
CID 78760155
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
CID 110928608
(2,5-dimethoxyphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541598
3-(2-methylpropyl)benzamide
CID 23130390
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
(1-phenyltetrazol-5-yl)methyl 3-(4-fluorophenyl)butanoate
CID 60541543
1-[3-[2-(4-fluorophenyl)propyl]phenyl]ethanethione
CID 139460981
3-(4-fluorophenyl)butanoyl 2,2-dimethylpropanoate
CID 11219324

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate?
The IUPAC name of (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate (CID 60541514) is (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate?
The canonical SMILES for (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate is CC(CC(=O)OCc1cccc(C(N)=O)c1)c1ccc(F)cc1.
What is the InChIKey of (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate?
The InChIKey is FURLJINXFXDEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(14-5-7-16(19)8-6-14)9-17(21)23-11-13-3-2-4-15(10-13)18(20)22/h2-8,10,12H,9,11H2,1H3,(H2,20,22).
What are the key properties of (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate?
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate has a molecular weight of 315.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate is sourced from PubChem (CID 60541514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).