1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea

C17H20ClN3O2 — CID 111452985

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccccc1NC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-21(2)15-10-6-5-9-14(15)20-17(23)19-11-16(22)12-7-3-4-8-13(12)18/h3-10,16,22H,11H2,1-2H3,(H2,19,20,23)
InChIKeyNLQJLKXKLCCXIW-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea (PubChem CID 111452985) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
PubChem CID111452985
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccccc1NC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-21(2)15-10-6-5-9-14(15)20-17(23)19-11-16(22)12-7-3-4-8-13(12)18/h3-10,16,22H,11H2,1-2H3,(H2,19,20,23)
InChIKeyNLQJLKXKLCCXIW-UHFFFAOYSA-N
XLogP3.26
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[4-(dimethylamino)phenyl]urea
CID 111452567
1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111116846
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388887
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 111453634
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 111482842
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea (CID 111452985) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea is CN(C)c1ccccc1NC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea?
The InChIKey is NLQJLKXKLCCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21(2)15-10-6-5-9-14(15)20-17(23)19-11-16(22)12-7-3-4-8-13(12)18/h3-10,16,22H,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea has a molecular weight of 333.82 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea is sourced from PubChem (CID 111452985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).