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

C20H25FN2O — CID 109024697

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccc(NCCC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O/c1-15(2)16-7-9-18(10-8-16)22-14-12-20(24)23-13-11-17-5-3-4-6-19(17)21/h3-10,15,22H,11-14H2,1-2H3,(H,23,24)
InChIKeyFXNWSBFBKZMCPE-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.11
Rot. Bonds8

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

N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide (PubChem CID 109024697) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
PubChem CID109024697
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccc(NCCC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O/c1-15(2)16-7-9-18(10-8-16)22-14-12-20(24)23-13-11-17-5-3-4-6-19(17)21/h3-10,15,22H,11-14H2,1-2H3,(H,23,24)
InChIKeyFXNWSBFBKZMCPE-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024765
N-[2-(2-fluorophenyl)ethyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112993353
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024669
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109330766
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide (CID 109024697) is N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide is CC(C)c1ccc(NCCC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide?
The InChIKey is FXNWSBFBKZMCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15(2)16-7-9-18(10-8-16)22-14-12-20(24)23-13-11-17-5-3-4-6-19(17)21/h3-10,15,22H,11-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide?
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide has a molecular weight of 328.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109024697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).