3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

C23H27ClN2O3 — CID 52556678

IUPAC3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1
InChIInChI=1S/C23H27ClN2O3/c1-26(2)23(28)17-9-6-10-19(13-17)25-22(27)15-29-21-12-11-18(24)14-20(21)16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8,15H2,1-2H3,(H,25,27)
InChIKeyDXLVKESMJWZCMQ-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.11
Rot. Bonds6

About 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 52556678) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID52556678
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1
InChIInChI=1S/C23H27ClN2O3/c1-26(2)23(28)17-9-6-10-19(13-17)25-22(27)15-29-21-12-11-18(24)14-20(21)16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8,15H2,1-2H3,(H,25,27)
InChIKeyDXLVKESMJWZCMQ-UHFFFAOYSA-N
XLogP5.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 78887844
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 4789101
2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2117470
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 52556678) is 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1.
What is the InChIKey of 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DXLVKESMJWZCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-26(2)23(28)17-9-6-10-19(13-17)25-22(27)15-29-21-12-11-18(24)14-20(21)16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8,15H2,1-2H3,(H,25,27).
What are the key properties of 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 414.93 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 52556678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).