1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea

C11H14BrClN2O3 — CID 97054292

IUPAC1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
SMILESCOC[C@@H](O)CNC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O3/c1-18-6-8(16)5-14-11(17)15-7-2-3-10(13)9(12)4-7/h2-4,8,16H,5-6H2,1H3,(H2,14,15,17)/t8-/m0/s1
InChIKeyKTJOKGHNLSXVKJ-QMMMGPOBSA-N
MW337.60 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea

1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea (PubChem CID 97054292) has the molecular formula C11H14BrClN2O3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
PubChem CID97054292
Molecular FormulaC11H14BrClN2O3
Molecular Weight337.60 g/mol
Exact Mass335.99
IUPAC Name1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
SMILESCOC[C@@H](O)CNC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O3/c1-18-6-8(16)5-14-11(17)15-7-2-3-10(13)9(12)4-7/h2-4,8,16H,5-6H2,1H3,(H2,14,15,17)/t8-/m0/s1
InChIKeyKTJOKGHNLSXVKJ-QMMMGPOBSA-N
XLogP2.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-chlorophenyl)-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
CID 97054291
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426624
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-(2-hydroxy-3-methoxypropyl)-3-(1-propylindol-6-yl)urea
CID 111474971
methyl 2-(3-bromo-4-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116501974
methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878988
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea (CID 97054292) is 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea is COC[C@@H](O)CNC(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
The InChIKey is KTJOKGHNLSXVKJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrClN2O3/c1-18-6-8(16)5-14-11(17)15-7-2-3-10(13)9(12)4-7/h2-4,8,16H,5-6H2,1H3,(H2,14,15,17)/t8-/m0/s1.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea has a molecular weight of 337.60 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea is sourced from PubChem (CID 97054292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).