1-(3-bromophenyl)-3-(3-hydroxybutyl)urea

C11H15BrN2O2 — CID 111336733

IUPAC1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8(15)5-6-13-11(16)14-10-4-2-3-9(12)7-10/h2-4,7-8,15H,5-6H2,1H3,(H2,13,14,16)
InChIKeyRWXXVMHWJAWUKQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea

1-(3-bromophenyl)-3-(3-hydroxybutyl)urea (PubChem CID 111336733) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
PubChem CID111336733
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8(15)5-6-13-11(16)14-10-4-2-3-9(12)7-10/h2-4,7-8,15H,5-6H2,1H3,(H2,13,14,16)
InChIKeyRWXXVMHWJAWUKQ-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-[(3-bromophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838138
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
CID 111336903
1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336928
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide
CID 108870174
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-N-[(3R)-3-hydroxy-4-methylpentyl]acetamide
CID 95787783
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea (CID 111336733) is 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea?
The InChIKey is RWXXVMHWJAWUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(15)5-6-13-11(16)14-10-4-2-3-9(12)7-10/h2-4,7-8,15H,5-6H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea?
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea has a molecular weight of 287.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).