1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea

C10H12BrClN2O2 — CID 110908184

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O2/c11-8-2-1-7(9(12)5-8)6-14-10(16)13-3-4-15/h1-2,5,15H,3-4,6H2,(H2,13,14,16)
InChIKeyDHPNTVDEKQPSDD-UHFFFAOYSA-N
MW307.58 g/mol
LogP1.89
Rot. Bonds4

About 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea

1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea (PubChem CID 110908184) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
PubChem CID110908184
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O2/c11-8-2-1-7(9(12)5-8)6-14-10(16)13-3-4-15/h1-2,5,15H,3-4,6H2,(H2,13,14,16)
InChIKeyDHPNTVDEKQPSDD-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102
N-[(4-bromo-2-chlorophenyl)methyl]-4-tert-butylbenzamide
CID 171934642
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
N-[(4-bromo-2-chlorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47446049
2-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976837
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea (CID 110908184) is 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCc1ccc(Br)cc1Cl.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is DHPNTVDEKQPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c11-8-2-1-7(9(12)5-8)6-14-10(16)13-3-4-15/h1-2,5,15H,3-4,6H2,(H2,13,14,16).
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea?
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 307.58 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).