1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid

C19H20BrNO3 — CID 123186255

IUPAC1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid
SMILESCC(c1ccc(Br)cc1)N(CCCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20BrNO3/c1-14(15-9-11-17(20)12-10-15)21(19(23)24)13-5-8-18(22)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,24)
InChIKeyZACTZBIJLGRUDY-UHFFFAOYSA-N
MW390.28 g/mol
LogP5.15
Rot. Bonds7

About 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid

1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid (PubChem CID 123186255) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid
PubChem CID123186255
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid
SMILESCC(c1ccc(Br)cc1)N(CCCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20BrNO3/c1-14(15-9-11-17(20)12-10-15)21(19(23)24)13-5-8-18(22)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,24)
InChIKeyZACTZBIJLGRUDY-UHFFFAOYSA-N
XLogP5.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(4-bromophenyl)ethyl]-[(3S)-5-methyl-3-phenylhex-5-enyl]carbamic acid
CID 89131350
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 68731226
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
1-phenylethyl(propyl)carbamic acid
CID 57360234
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
[(1S)-1-(4-bromophenyl)ethyl]-[4-(tert-butylsulfinylamino)-4-phenylhept-6-enyl]carbamic acid
CID 68551214
6-methyl-1-phenylheptan-1-one
CID 64505975
1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
CID 63565755
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005
18-methyl-1-phenylnonadecan-1-one
CID 141198244
[(1S)-1-(4-bromophenyl)ethyl]-[(2R)-5-hydroxy-2,5-dimethyl-2-phenylhexyl]carbamic acid
CID 118929007

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid?
The IUPAC name of 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid (CID 123186255) is 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid.
What is the SMILES notation for 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid?
The canonical SMILES for 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid is CC(c1ccc(Br)cc1)N(CCCC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid?
The InChIKey is ZACTZBIJLGRUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-14(15-9-11-17(20)12-10-15)21(19(23)24)13-5-8-18(22)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,24).
What are the key properties of 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid?
1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid has a molecular weight of 390.28 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid is sourced from PubChem (CID 123186255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).