3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea

C18H21ClN2O3 — CID 110010428

IUPAC3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-13(11-22)21(2)18(23)20-16-4-3-5-17(10-16)24-12-14-6-8-15(19)9-7-14/h3-10,13,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyNTCLHBOOCHQESB-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.76
Rot. Bonds6

About 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea

3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea (PubChem CID 110010428) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
PubChem CID110010428
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-13(11-22)21(2)18(23)20-16-4-3-5-17(10-16)24-12-14-6-8-15(19)9-7-14/h3-10,13,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyNTCLHBOOCHQESB-UHFFFAOYSA-N
XLogP3.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
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1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891
3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 87010594
N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
CID 17095062
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 63223281
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95765039
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
The IUPAC name of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea (CID 110010428) is 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea.
What is the SMILES notation for 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
The canonical SMILES for 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea is CC(CO)N(C)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
The InChIKey is NTCLHBOOCHQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13(11-22)21(2)18(23)20-16-4-3-5-17(10-16)24-12-14-6-8-15(19)9-7-14/h3-10,13,22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea has a molecular weight of 348.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea is sourced from PubChem (CID 110010428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).