N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide

C21H25ClN2O2 — CID 141340385

IUPACN-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide
SMILESCN(c1ccccc1)c1cccc(C(=O)NCC2(O)CCC(Cl)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-24(18-7-3-2-4-8-18)19-9-5-6-16(14-19)20(25)23-15-21(26)12-10-17(22)11-13-21/h2-9,14,17,26H,10-13,15H2,1H3,(H,23,25)
InChIKeyUGNYBBPDJFAJBN-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide

N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide (PubChem CID 141340385) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide
PubChem CID141340385
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide
SMILESCN(c1ccccc1)c1cccc(C(=O)NCC2(O)CCC(Cl)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-24(18-7-3-2-4-8-18)19-9-5-6-16(14-19)20(25)23-15-21(26)12-10-17(22)11-13-21/h2-9,14,17,26H,10-13,15H2,1H3,(H,23,25)
InChIKeyUGNYBBPDJFAJBN-UHFFFAOYSA-N
XLogP4.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111463021
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
3-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362491
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 65120362
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(dimethylamino)benzamide
CID 71788754

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide?
The IUPAC name of N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide (CID 141340385) is N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide.
What is the SMILES notation for N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide?
The canonical SMILES for N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide is CN(c1ccccc1)c1cccc(C(=O)NCC2(O)CCC(Cl)CC2)c1.
What is the InChIKey of N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide?
The InChIKey is UGNYBBPDJFAJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-24(18-7-3-2-4-8-18)19-9-5-6-16(14-19)20(25)23-15-21(26)12-10-17(22)11-13-21/h2-9,14,17,26H,10-13,15H2,1H3,(H,23,25).
What are the key properties of N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide?
N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide is sourced from PubChem (CID 141340385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).