1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea

C17H18BrFN2O — CID 41134387

IUPAC1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESC[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12(15-4-2-3-5-16(15)18)21-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9,12H,10-11H2,1H3,(H2,20,21,22)/t12-/m0/s1
InChIKeyZLYAPUDERXKOES-LBPRGKRZSA-N
MW365.25 g/mol
LogP4.19
Rot. Bonds5

About 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea

1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 41134387) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID41134387
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESC[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12(15-4-2-3-5-16(15)18)21-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9,12H,10-11H2,1H3,(H2,20,21,22)/t12-/m0/s1
InChIKeyZLYAPUDERXKOES-LBPRGKRZSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-bromophenyl)ethyl]-3-(3-phenylpropyl)urea
CID 74636274
N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55503659
N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide
CID 86879791
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-methylbutanoate
CID 2011301
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9220099
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
CID 57330094
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 41134387) is 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea is C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is ZLYAPUDERXKOES-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-12(15-4-2-3-5-16(15)18)21-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9,12H,10-11H2,1H3,(H2,20,21,22)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 365.25 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 41134387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).