3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide

C14H18ClNO3 — CID 110143758

IUPAC3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18ClNO3/c1-16(11-6-3-7-12(17)13(11)18)14(19)9-4-2-5-10(15)8-9/h2,4-5,8,11-13,17-18H,3,6-7H2,1H3/t11-,12-,13-/m1/s1
InChIKeyRLLQHAGCEIDMMO-JHJVBQTASA-N
MW283.75 g/mol
LogP1.69
Rot. Bonds2

About 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide

3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide (PubChem CID 110143758) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
PubChem CID110143758
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18ClNO3/c1-16(11-6-3-7-12(17)13(11)18)14(19)9-4-2-5-10(15)8-9/h2,4-5,8,11-13,17-18H,3,6-7H2,1H3/t11-,12-,13-/m1/s1
InChIKeyRLLQHAGCEIDMMO-JHJVBQTASA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
CID 110125598
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)-methylamino]cyclohexane-1-carboxylate
CID 118319568
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
CID 126808026
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide (CID 110143758) is 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide is CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide?
The InChIKey is RLLQHAGCEIDMMO-JHJVBQTASA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-16(11-6-3-7-12(17)13(11)18)14(19)9-4-2-5-10(15)8-9/h2,4-5,8,11-13,17-18H,3,6-7H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide?
3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide has a molecular weight of 283.75 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 110143758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).