2-fluoro-5-(2-phenylmethoxyethyl)benzamide

C16H16FNO2 — CID 72940692

IUPAC2-fluoro-5-(2-phenylmethoxyethyl)benzamide
SMILESNC(=O)c1cc(CCOCc2ccccc2)ccc1F
InChIInChI=1S/C16H16FNO2/c17-15-7-6-12(10-14(15)16(18)19)8-9-20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,18,19)
InChIKeyXDSOUKWZDOQVPF-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.68
Rot. Bonds6

About 2-fluoro-5-(2-phenylmethoxyethyl)benzamide

2-fluoro-5-(2-phenylmethoxyethyl)benzamide (PubChem CID 72940692) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-5-(2-phenylmethoxyethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(2-phenylmethoxyethyl)benzamide
PubChem CID72940692
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-5-(2-phenylmethoxyethyl)benzamide
SMILESNC(=O)c1cc(CCOCc2ccccc2)ccc1F
InChIInChI=1S/C16H16FNO2/c17-15-7-6-12(10-14(15)16(18)19)8-9-20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,18,19)
InChIKeyXDSOUKWZDOQVPF-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(4-methylbenzyl)oxy]benzamide
CID 19582487
3-Oxiranylbenzamide
CID 45084012
(S)-2-(4-fluoro-3,5-dimethylbenzyl)-6-(4-fluoro-3-methylbenzyloxy)-N-hydroxyhexanamide
CID 54584001
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
Ethyl 3-[4-(butylaminocarbamoyl)phenyl]-4-fluorobenzoate
CID 118418350
N-benzyloxy-4-fluoro-benzamide
CID 9227227
3-(3-Carbamoyl-phenyl)-acrylic acid phenethyl ester
CID 10494076
(4-Carbamoylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 27355692
N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide
CID 31282035
3-Phenylpropyl 4-(aminomethyl)benzoate
CID 44365668
2-Phenylethyl 4-(aminomethyl)benzoate
CID 44365669
3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
CID 164610296

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-phenylmethoxyethyl)benzamide?
The IUPAC name of 2-fluoro-5-(2-phenylmethoxyethyl)benzamide (CID 72940692) is 2-fluoro-5-(2-phenylmethoxyethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(2-phenylmethoxyethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(2-phenylmethoxyethyl)benzamide is NC(=O)c1cc(CCOCc2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-phenylmethoxyethyl)benzamide?
The InChIKey is XDSOUKWZDOQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-7-6-12(10-14(15)16(18)19)8-9-20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,18,19).
What are the key properties of 2-fluoro-5-(2-phenylmethoxyethyl)benzamide?
2-fluoro-5-(2-phenylmethoxyethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-phenylmethoxyethyl)benzamide is sourced from PubChem (CID 72940692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).