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

C11H16ClN3O2 — CID 110894267

IUPAC1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
SMILESCN(C)c1c(Cl)cccc1NC(=O)NCCO
InChIInChI=1S/C11H16ClN3O2/c1-15(2)10-8(12)4-3-5-9(10)14-11(17)13-6-7-16/h3-5,16H,6-7H2,1-2H3,(H2,13,14,17)
InChIKeyQRXIGRUZXCNUOT-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.52
Rot. Bonds4

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

1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894267) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID110894267
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
SMILESCN(C)c1c(Cl)cccc1NC(=O)NCCO
InChIInChI=1S/C11H16ClN3O2/c1-15(2)10-8(12)4-3-5-9(10)14-11(17)13-6-7-16/h3-5,16H,6-7H2,1-2H3,(H2,13,14,17)
InChIKeyQRXIGRUZXCNUOT-UHFFFAOYSA-N
XLogP1.52
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103609
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
CID 94194163
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853978
ethyl N-[3-[3-chloro-2-(dimethylamino)anilino]-3-oxopropyl]carbamate
CID 60558000
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
CID 103813583
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea (CID 110894267) is 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea is CN(C)c1c(Cl)cccc1NC(=O)NCCO.
What is the InChIKey of 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is QRXIGRUZXCNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15(2)10-8(12)4-3-5-9(10)14-11(17)13-6-7-16/h3-5,16H,6-7H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea?
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 257.72 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).