1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea

C12H16Cl2N2O2 — CID 97246462

IUPAC1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
SMILESC[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCO
InChIInChI=1S/C12H16Cl2N2O2/c1-8(16-12(18)15-5-6-17)7-9-10(13)3-2-4-11(9)14/h2-4,8,17H,5-7H2,1H3,(H2,15,16,18)/t8-/m0/s1
InChIKeyGVYVBTKSBGPXGT-QMMMGPOBSA-N
MW291.18 g/mol
LogP2.22
Rot. Bonds5

About 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea

1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea (PubChem CID 97246462) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
PubChem CID97246462
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
SMILESC[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCO
InChIInChI=1S/C12H16Cl2N2O2/c1-8(16-12(18)15-5-6-17)7-9-10(13)3-2-4-11(9)14/h2-4,8,17H,5-7H2,1H3,(H2,15,16,18)/t8-/m0/s1
InChIKeyGVYVBTKSBGPXGT-QMMMGPOBSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976
(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640514
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
CID 55922684
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793700
1-(2-hydroxyethyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111474130
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea (CID 97246462) is 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea is C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCO.
What is the InChIKey of 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is GVYVBTKSBGPXGT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(16-12(18)15-5-6-17)7-9-10(13)3-2-4-11(9)14/h2-4,8,17H,5-7H2,1H3,(H2,15,16,18)/t8-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea?
1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 291.18 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 97246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).