methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate

C19H19BrFNO3 — CID 68731226

IUPACmethyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
SMILESCOC(=O)N(CCC(=O)c1ccc(F)cc1)C(C)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrFNO3/c1-13(14-3-7-16(20)8-4-14)22(19(24)25-2)12-11-18(23)15-5-9-17(21)10-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyLZFOFTWLZNUWRX-UHFFFAOYSA-N
MW408.27 g/mol
LogP4.99
Rot. Bonds6

About methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate

methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate (PubChem CID 68731226) has the molecular formula C19H19BrFNO3 and a molecular weight of 408.27 g/mol. Its IUPAC name is methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
PubChem CID68731226
Molecular FormulaC19H19BrFNO3
Molecular Weight408.27 g/mol
Exact Mass407.05
IUPAC Namemethyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
SMILESCOC(=O)N(CCC(=O)c1ccc(F)cc1)C(C)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrFNO3/c1-13(14-3-7-16(20)8-4-14)22(19(24)25-2)12-11-18(23)15-5-9-17(21)10-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyLZFOFTWLZNUWRX-UHFFFAOYSA-N
XLogP4.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid
CID 123186255
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
ethyl 5-[[(1S)-1-(4-bromophenyl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluorophenyl)-3-hydroxypentanoate
CID 58237928
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate
CID 134382691

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate?
The IUPAC name of methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate (CID 68731226) is methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate.
What is the SMILES notation for methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate?
The canonical SMILES for methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate is COC(=O)N(CCC(=O)c1ccc(F)cc1)C(C)c1ccc(Br)cc1.
What is the InChIKey of methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate?
The InChIKey is LZFOFTWLZNUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO3/c1-13(14-3-7-16(20)8-4-14)22(19(24)25-2)12-11-18(23)15-5-9-17(21)10-6-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate?
methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate has a molecular weight of 408.27 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate is sourced from PubChem (CID 68731226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).