N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide

C18H21FN2O2 — CID 109025014

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O2/c1-23-17-4-2-3-16(13-17)20-12-10-18(22)21-11-9-14-5-7-15(19)8-6-14/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyIJYVQGJZDYGNJS-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide

N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide (PubChem CID 109025014) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
PubChem CID109025014
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O2/c1-23-17-4-2-3-16(13-17)20-12-10-18(22)21-11-9-14-5-7-15(19)8-6-14/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyIJYVQGJZDYGNJS-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide (CID 109025014) is N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide is COc1cccc(NCCC(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide?
The InChIKey is IJYVQGJZDYGNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-17-4-2-3-16(13-17)20-12-10-18(22)21-11-9-14-5-7-15(19)8-6-14/h2-8,13,20H,9-12H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 109025014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).