N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide

C16H17FN2O2 — CID 81481242

IUPACN-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(OCCN)c2)c1F
InChIInChI=1S/C16H17FN2O2/c1-11-4-2-7-14(15(11)17)16(20)19-12-5-3-6-13(10-12)21-9-8-18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBKDIRWBFQGVTQF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.72
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide

N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide (PubChem CID 81481242) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
PubChem CID81481242
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(OCCN)c2)c1F
InChIInChI=1S/C16H17FN2O2/c1-11-4-2-7-14(15(11)17)16(20)19-12-5-3-6-13(10-12)21-9-8-18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBKDIRWBFQGVTQF-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
CID 103806452
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide (CID 81481242) is N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(OCCN)c2)c1F.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide?
The InChIKey is BKDIRWBFQGVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-4-2-7-14(15(11)17)16(20)19-12-5-3-6-13(10-12)21-9-8-18/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide?
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).