N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide

C16H25FN2O — CID 62996918

IUPACN,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-5-19(6-2)16(20)13(4)18-12(3)11-14-7-9-15(17)10-8-14/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeySWILTHRKCPDELO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.60
Rot. Bonds7

About N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide

N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide (PubChem CID 62996918) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
PubChem CID62996918
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-5-19(6-2)16(20)13(4)18-12(3)11-14-7-9-15(17)10-8-14/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeySWILTHRKCPDELO-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
CID 43425172
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
CID 114829624
2-[1-(2,6-difluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 43739406
N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide
CID 97321937
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide (CID 62996918) is N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide is CCN(CC)C(=O)C(C)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
The InChIKey is SWILTHRKCPDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-19(6-2)16(20)13(4)18-12(3)11-14-7-9-15(17)10-8-14/h7-10,12-13,18H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 62996918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).