2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide

C17H18FNO2 — CID 17408402

IUPAC2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCc2ccccc2)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-21-14-9-10-15(16(18)12-14)17(20)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)
InChIKeySOHBEGAZERIOSD-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.20
Rot. Bonds6

About 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide

2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide (PubChem CID 17408402) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
PubChem CID17408402
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCc2ccccc2)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-21-14-9-10-15(16(18)12-14)17(20)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)
InChIKeySOHBEGAZERIOSD-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.20
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

2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
CID 2987506
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
CID 103951557
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide (CID 17408402) is 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide is COc1ccc(C(=O)NCCCc2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide?
The InChIKey is SOHBEGAZERIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-14-9-10-15(16(18)12-14)17(20)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide?
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide has a molecular weight of 287.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 17408402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).