1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea

C18H20Cl2N2O3 — CID 113216726

IUPAC1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C18H20Cl2N2O3/c1-18(2,11-5-6-15(24-3)16(7-11)25-4)22-17(23)21-14-9-12(19)8-13(20)10-14/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyGRIFCRIDZSRHHD-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.07
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea

1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea (PubChem CID 113216726) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
PubChem CID113216726
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C18H20Cl2N2O3/c1-18(2,11-5-6-15(24-3)16(7-11)25-4)22-17(23)21-14-9-12(19)8-13(20)10-14/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyGRIFCRIDZSRHHD-UHFFFAOYSA-N
XLogP5.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
CID 110492529
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 113216665
1-(3,4,5-trimethoxyphenyl)-3-[2-[3-[2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 43835557
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea (CID 113216726) is 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The InChIKey is GRIFCRIDZSRHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-18(2,11-5-6-15(24-3)16(7-11)25-4)22-17(23)21-14-9-12(19)8-13(20)10-14/h5-10H,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea has a molecular weight of 383.28 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).