1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea

C11H14Cl2N2O3 — CID 99833156

IUPAC1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESCOc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](C)CO
InChIInChI=1S/C11H14Cl2N2O3/c1-6(5-16)14-11(17)15-9-3-7(12)8(13)4-10(9)18-2/h3-4,6,16H,5H2,1-2H3,(H2,14,15,17)/t6-/m0/s1
InChIKeyNODKXLGFMSTHNK-LURJTMIESA-N
MW293.15 g/mol
LogP2.50
Rot. Bonds4

About 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea

1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea (PubChem CID 99833156) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID99833156
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESCOc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](C)CO
InChIInChI=1S/C11H14Cl2N2O3/c1-6(5-16)14-11(17)15-9-3-7(12)8(13)4-10(9)18-2/h3-4,6,16H,5H2,1-2H3,(H2,14,15,17)/t6-/m0/s1
InChIKeyNODKXLGFMSTHNK-LURJTMIESA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181908
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
CID 3289741
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085869
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61184240
1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110908088
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea (CID 99833156) is 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea is COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](C)CO.
What is the InChIKey of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
The InChIKey is NODKXLGFMSTHNK-LURJTMIESA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c1-6(5-16)14-11(17)15-9-3-7(12)8(13)4-10(9)18-2/h3-4,6,16H,5H2,1-2H3,(H2,14,15,17)/t6-/m0/s1.
What are the key properties of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea?
1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea has a molecular weight of 293.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 99833156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).