1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea

C17H19ClN2O3 — CID 108991931

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-11(2)23-14-7-4-12(5-8-14)19-17(21)20-13-6-9-16(22-3)15(18)10-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyALCLICGIKGRNOC-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.78
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea

1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 108991931) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
PubChem CID108991931
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-11(2)23-14-7-4-12(5-8-14)19-17(21)20-13-6-9-16(22-3)15(18)10-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyALCLICGIKGRNOC-UHFFFAOYSA-N
XLogP4.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808245
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea (CID 108991931) is 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is ALCLICGIKGRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11(2)23-14-7-4-12(5-8-14)19-17(21)20-13-6-9-16(22-3)15(18)10-13/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea?
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 334.80 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108991931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).