N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide

C16H15ClFNO2 — CID 86906510

IUPACN-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(12-5-3-4-6-14(12)17)19-16(20)13-8-7-11(21-2)9-15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyVKDUNTBSMZFMOK-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.98
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide

N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide (PubChem CID 86906510) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
PubChem CID86906510
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(12-5-3-4-6-14(12)17)19-16(20)13-8-7-11(21-2)9-15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyVKDUNTBSMZFMOK-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 26907621
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2-fluoro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 103602982
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide (CID 86906510) is N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccccc2Cl)c(F)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is VKDUNTBSMZFMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(12-5-3-4-6-14(12)17)19-16(20)13-8-7-11(21-2)9-15(13)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide?
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 307.75 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 86906510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).