3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea

C14H21BrN2O2 — CID 111106652

IUPAC3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-2-3-8-17(9-10-18)14(19)16-11-12-4-6-13(15)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyGJJNVHGIGNHGBK-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.75
Rot. Bonds7

About 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea

3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea (PubChem CID 111106652) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
PubChem CID111106652
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-2-3-8-17(9-10-18)14(19)16-11-12-4-6-13(15)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyGJJNVHGIGNHGBK-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)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-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614
2-[(4-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61194395
3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910295
3-[(4-bromo-3-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910356
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[(4-bromophenyl)methyl]butanamide
CID 22503328

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea (CID 111106652) is 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea?
The InChIKey is GJJNVHGIGNHGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-2-3-8-17(9-10-18)14(19)16-11-12-4-6-13(15)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,16,19).
What are the key properties of 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea?
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea has a molecular weight of 329.24 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111106652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).