N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide

C16H15F2NO2 — CID 110788169

IUPACN-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-21-14-5-2-11(3-6-14)16(20)19-9-8-12-10-13(17)4-7-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyQBBGCXVPBRQHNT-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide

N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 110788169) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
PubChem CID110788169
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-21-14-5-2-11(3-6-14)16(20)19-9-8-12-10-13(17)4-7-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyQBBGCXVPBRQHNT-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide
CID 75374492
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55996525
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047971
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
4-fluoro-N-[2-(7-methoxynaphthalen-2-yl)ethyl]benzamide
CID 19021877
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide (CID 110788169) is N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is QBBGCXVPBRQHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-21-14-5-2-11(3-6-14)16(20)19-9-8-12-10-13(17)4-7-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide?
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110788169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).