[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate

C20H23ClN2O3 — CID 70423223

IUPAC[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate
SMILESCC(=O)OC(CCc1cccc(NC(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(24)26-19(16-8-10-17(21)11-9-16)12-7-15-5-4-6-18(13-15)22-20(25)23(2)3/h4-6,8-11,13,19H,7,12H2,1-3H3,(H,22,25)
InChIKeyGFDVGDDHDOVQQV-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.67
Rot. Bonds6

About [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate

[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate (PubChem CID 70423223) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate
PubChem CID70423223
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate
SMILESCC(=O)OC(CCc1cccc(NC(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(24)26-19(16-8-10-17(21)11-9-16)12-7-15-5-4-6-18(13-15)22-20(25)23(2)3/h4-6,8-11,13,19H,7,12H2,1-3H3,(H,22,25)
InChIKeyGFDVGDDHDOVQQV-UHFFFAOYSA-N
XLogP4.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-methoxy-3-(4-methylphenyl)propyl]phenyl]-1,1-dimethylurea
CID 86097680
[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
CID 102028117
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
[(1S)-2-acetamido-1-(4-chlorophenyl)ethyl] acetate
CID 14954517
2-amino-5-chloro-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-4-fluorobenzamide
CID 167895809
3-[3-[(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]phenyl]-1,1-dimethylurea
CID 70999136
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
1-[(4-chlorophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868392

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate?
The IUPAC name of [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate (CID 70423223) is [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate?
The canonical SMILES for [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate is CC(=O)OC(CCc1cccc(NC(=O)N(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate?
The InChIKey is GFDVGDDHDOVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(24)26-19(16-8-10-17(21)11-9-16)12-7-15-5-4-6-18(13-15)22-20(25)23(2)3/h4-6,8-11,13,19H,7,12H2,1-3H3,(H,22,25).
What are the key properties of [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate?
[1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate has a molecular weight of 374.87 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-[3-(dimethylcarbamoylamino)phenyl]propyl] acetate is sourced from PubChem (CID 70423223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).