4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide

C21H24ClNO3 — CID 95706547

IUPAC4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C21H24ClNO3/c1-23(19-8-4-5-9-20(19)24)21(25)15-10-12-17(13-11-15)26-14-16-6-2-3-7-18(16)22/h2-3,6-7,10-13,19-20,24H,4-5,8-9,14H2,1H3/t19-,20+/m0/s1
InChIKeyIQPMRVLVMFMRRB-VQTJNVASSA-N
MW373.88 g/mol
LogP4.29
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide

4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide (PubChem CID 95706547) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
PubChem CID95706547
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C21H24ClNO3/c1-23(19-8-4-5-9-20(19)24)21(25)15-10-12-17(13-11-15)26-14-16-6-2-3-7-18(16)22/h2-3,6-7,10-13,19-20,24H,4-5,8-9,14H2,1H3/t19-,20+/m0/s1
InChIKeyIQPMRVLVMFMRRB-VQTJNVASSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 56922471
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102635543
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 102634950
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide (CID 95706547) is 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide is CN(C(=O)c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CCCC[C@H]1O.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
The InChIKey is IQPMRVLVMFMRRB-VQTJNVASSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-23(19-8-4-5-9-20(19)24)21(25)15-10-12-17(13-11-15)26-14-16-6-2-3-7-18(16)22/h2-3,6-7,10-13,19-20,24H,4-5,8-9,14H2,1H3/t19-,20+/m0/s1.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide has a molecular weight of 373.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 95706547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).