N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide

C13H18FNO — CID 60666381

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
SMILESCCC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H18FNO/c1-4-12(16)15-13(9(2)3)10-5-7-11(14)8-6-10/h5-9,13H,4H2,1-3H3,(H,15,16)
InChIKeyRTAWBNLRLGBQSD-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.05
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide (PubChem CID 60666381) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
PubChem CID60666381
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
SMILESCCC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H18FNO/c1-4-12(16)15-13(9(2)3)10-5-7-11(14)8-6-10/h5-9,13H,4H2,1-3H3,(H,15,16)
InChIKeyRTAWBNLRLGBQSD-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
CID 113292395
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide (CID 60666381) is N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide is CCC(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide?
The InChIKey is RTAWBNLRLGBQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-12(16)15-13(9(2)3)10-5-7-11(14)8-6-10/h5-9,13H,4H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide has a molecular weight of 223.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 60666381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).