N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate

C13H16FN2O3- — CID 23047132

IUPACN-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)[O-])C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-9(16-13(18)19)12(17)15-8-2-3-10-4-6-11(14)7-5-10/h4-7,9,16H,2-3,8H2,1H3,(H,15,17)(H,18,19)/p-1
InChIKeyYXOHQCXVBCOZCK-UHFFFAOYSA-M
MW267.28 g/mol
LogP0.20
Rot. Bonds6

About N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate

N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 23047132) has the molecular formula C13H16FN2O3- and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
PubChem CID23047132
Molecular FormulaC13H16FN2O3-
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)[O-])C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-9(16-13(18)19)12(17)15-8-2-3-10-4-6-11(14)7-5-10/h4-7,9,16H,2-3,8H2,1H3,(H,15,17)(H,18,19)/p-1
InChIKeyYXOHQCXVBCOZCK-UHFFFAOYSA-M
XLogP0.20
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate
CID 23047137
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate (CID 23047132) is N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)[O-])C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is YXOHQCXVBCOZCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17FN2O3/c1-9(16-13(18)19)12(17)15-8-2-3-10-4-6-11(14)7-5-10/h4-7,9,16H,2-3,8H2,1H3,(H,15,17)(H,18,19)/p-1.
What are the key properties of N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate?
N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 267.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 23047132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).