N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide

C13H17FN2O2 — CID 167446324

IUPACN-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide
SMILESO=CNCCCNC(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c14-12-4-2-11(3-5-12)8-13(9-17)16-7-1-6-15-10-18/h2-5,9-10,13,16H,1,6-8H2,(H,15,18)
InChIKeyULCHRWJLNSPJHI-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.66
Rot. Bonds9

About N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide

N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide (PubChem CID 167446324) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide
PubChem CID167446324
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide
SMILESO=CNCCCNC(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c14-12-4-2-11(3-5-12)8-13(9-17)16-7-1-6-15-10-18/h2-5,9-10,13,16H,1,6-8H2,(H,15,18)
InChIKeyULCHRWJLNSPJHI-UHFFFAOYSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
CID 155119479
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
2-[(4-fluorophenyl)methyl]hexanal
CID 11672920
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
methyl 2-[(4-fluorophenyl)methyl]-3-oxopropanoate
CID 175668864
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
4-[2-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]ethyl]benzenecarboximidamide
CID 57167650
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide
CID 21098581

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide?
The IUPAC name of N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide (CID 167446324) is N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide.
What is the SMILES notation for N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide?
The canonical SMILES for N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide is O=CNCCCNC(C=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide?
The InChIKey is ULCHRWJLNSPJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-4-2-11(3-5-12)8-13(9-17)16-7-1-6-15-10-18/h2-5,9-10,13,16H,1,6-8H2,(H,15,18).
What are the key properties of N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide?
N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide has a molecular weight of 252.29 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]propyl]formamide is sourced from PubChem (CID 167446324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).