1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea

C12H18ClN3O2 — CID 111435033

IUPAC1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(7-17)14-12(18)15-10-6-9(13)4-5-11(10)16(2)3/h4-6,8,17H,7H2,1-3H3,(H2,14,15,18)
InChIKeySEIGLWXWGMZLIF-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.91
Rot. Bonds4

About 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea

1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 111435033) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID111435033
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(7-17)14-12(18)15-10-6-9(13)4-5-11(10)16(2)3/h4-6,8,17H,7H2,1-3H3,(H2,14,15,18)
InChIKeySEIGLWXWGMZLIF-UHFFFAOYSA-N
XLogP1.91
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111435035
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-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea (CID 111435033) is 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is SEIGLWXWGMZLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(7-17)14-12(18)15-10-6-9(13)4-5-11(10)16(2)3/h4-6,8,17H,7H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea?
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 271.75 g/mol, XLogP of 1.91, 4 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-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111435033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).