3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea

C17H18BrN3O — CID 95786667

IUPAC3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](c1ccccn1)N(C(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C17H18BrN3O/c1-12(16-7-2-3-10-19-16)21(15-8-9-15)17(22)20-14-6-4-5-13(18)11-14/h2-7,10-12,15H,8-9H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyWOKCTGAEBJECAO-GFCCVEGCSA-N
MW360.26 g/mol
LogP4.60
Rot. Bonds4

About 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea

3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 95786667) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID95786667
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](c1ccccn1)N(C(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C17H18BrN3O/c1-12(16-7-2-3-10-19-16)21(15-8-9-15)17(22)20-14-6-4-5-13(18)11-14/h2-7,10-12,15H,8-9H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyWOKCTGAEBJECAO-GFCCVEGCSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]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-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-2-ylethyl)urea
CID 3445678
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 159086975
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
3-acetamido-N-cyclopropyl-3-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 55921203
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea (CID 95786667) is 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea is C[C@H](c1ccccn1)N(C(=O)Nc1cccc(Br)c1)C1CC1.
What is the InChIKey of 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is WOKCTGAEBJECAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-12(16-7-2-3-10-19-16)21(15-8-9-15)17(22)20-14-6-4-5-13(18)11-14/h2-7,10-12,15H,8-9H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 360.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 95786667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).