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

C19H23FN2O2 — CID 87033327

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H23FN2O2/c1-13-12-17(8-9-18(13)24-3)22-14(2)19(23)21-11-10-15-4-6-16(20)7-5-15/h4-9,12,14,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyCKDYZIHAMATMAS-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.30
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide (PubChem CID 87033327) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
PubChem CID87033327
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H23FN2O2/c1-13-12-17(8-9-18(13)24-3)22-14(2)19(23)21-11-10-15-4-6-16(20)7-5-15/h4-9,12,14,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyCKDYZIHAMATMAS-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 51248657
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948414

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide (CID 87033327) is N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide is COc1ccc(NC(C)C(=O)NCCc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide?
The InChIKey is CKDYZIHAMATMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-13-12-17(8-9-18(13)24-3)22-14(2)19(23)21-11-10-15-4-6-16(20)7-5-15/h4-9,12,14,22H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide has a molecular weight of 330.40 g/mol, XLogP of 3.30, 7 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]-2-(4-methoxy-3-methylanilino)propanamide is sourced from PubChem (CID 87033327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).