1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea

C10H12Cl2N2O3 — CID 40653606

IUPAC1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
SMILESO=C(NC[C@H](O)CO)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O3/c11-8-2-1-6(3-9(8)12)14-10(17)13-4-7(16)5-15/h1-3,7,15-16H,4-5H2,(H2,13,14,17)/t7-/m0/s1
InChIKeyVVMZECMDVYRBDC-ZETCQYMHSA-N
MW279.12 g/mol
LogP1.47
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea

1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea (PubChem CID 40653606) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
PubChem CID40653606
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
SMILESO=C(NC[C@H](O)CO)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O3/c11-8-2-1-6(3-9(8)12)14-10(17)13-4-7(16)5-15/h1-3,7,15-16H,4-5H2,(H2,13,14,17)/t7-/m0/s1
InChIKeyVVMZECMDVYRBDC-ZETCQYMHSA-N
XLogP1.47
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835081
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea (CID 40653606) is 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea is O=C(NC[C@H](O)CO)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
The InChIKey is VVMZECMDVYRBDC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c11-8-2-1-6(3-9(8)12)14-10(17)13-4-7(16)5-15/h1-3,7,15-16H,4-5H2,(H2,13,14,17)/t7-/m0/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea has a molecular weight of 279.12 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea is sourced from PubChem (CID 40653606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).