1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

C15H24ClN3O2 — CID 111435035

IUPAC1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(C)C(C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C15H24ClN3O2/c1-10(2)15(3,21)9-17-14(20)18-12-8-11(16)6-7-13(12)19(4)5/h6-8,10,21H,9H2,1-5H3,(H2,17,18,20)
InChIKeyKMEUXWBXFOWBHS-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.93
Rot. Bonds5

About 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111435035) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111435035
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(C)C(C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C15H24ClN3O2/c1-10(2)15(3,21)9-17-14(20)18-12-8-11(16)6-7-13(12)19(4)5/h6-8,10,21H,9H2,1-5H3,(H2,17,18,20)
InChIKeyKMEUXWBXFOWBHS-UHFFFAOYSA-N
XLogP2.93
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
1-(2-chloro-4-nitrophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111119270
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111435035) is 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is CC(C)C(C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is KMEUXWBXFOWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-10(2)15(3,21)9-17-14(20)18-12-8-11(16)6-7-13(12)19(4)5/h6-8,10,21H,9H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 313.83 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111435035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).