2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide

C14H21FN2O — CID 81347234

IUPAC2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-9(2)16-14(18)11(4)17-10(3)12-5-7-13(15)8-6-12/h5-11,17H,1-4H3,(H,16,18)/t10-,11?/m1/s1
InChIKeyPLDWZOYTIVXRCP-NFJWQWPMSA-N
MW252.33 g/mol
LogP2.39
Rot. Bonds5

About 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide

2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide (PubChem CID 81347234) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
PubChem CID81347234
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-9(2)16-14(18)11(4)17-10(3)12-5-7-13(15)8-6-12/h5-11,17H,1-4H3,(H,16,18)/t10-,11?/m1/s1
InChIKeyPLDWZOYTIVXRCP-NFJWQWPMSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
2-(1-naphthalen-2-ylethylamino)-N-propan-2-ylpropanamide
CID 115571851
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 64689516
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 9001696
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 40918629

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide (CID 81347234) is 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is PLDWZOYTIVXRCP-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)16-14(18)11(4)17-10(3)12-5-7-13(15)8-6-12/h5-11,17H,1-4H3,(H,16,18)/t10-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 81347234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).