1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea

C10H12Cl2N2O3 — CID 65313053

IUPAC1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)NC(CO)CO
InChIInChI=1S/C10H12Cl2N2O3/c11-6-1-2-8(12)9(3-6)14-10(17)13-7(4-15)5-16/h1-3,7,15-16H,4-5H2,(H2,13,14,17)
InChIKeyICPICWUEOOOPAC-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.47
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea

1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea (PubChem CID 65313053) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
PubChem CID65313053
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)NC(CO)CO
InChIInChI=1S/C10H12Cl2N2O3/c11-6-1-2-8(12)9(3-6)14-10(17)13-7(4-15)5-16/h1-3,7,15-16H,4-5H2,(H2,13,14,17)
InChIKeyICPICWUEOOOPAC-UHFFFAOYSA-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-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea (CID 65313053) is 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea is O=C(Nc1cc(Cl)ccc1Cl)NC(CO)CO.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea?
The InChIKey is ICPICWUEOOOPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c11-6-1-2-8(12)9(3-6)14-10(17)13-7(4-15)5-16/h1-3,7,15-16H,4-5H2,(H2,13,14,17).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea?
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)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-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea is sourced from PubChem (CID 65313053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).