2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide

C24H29Cl2NO4 — CID 165166152

IUPAC2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(C(=O)NCC3CCCC(O)C3)c2Cl)cc1C(C)C
InChIInChI=1S/C24H29Cl2NO4/c1-14(2)19-12-17(7-10-21(19)30-3)31-23-20(25)9-8-18(22(23)26)24(29)27-13-15-5-4-6-16(28)11-15/h7-10,12,14-16,28H,4-6,11,13H2,1-3H3,(H,27,29)
InChIKeyKSVIRIPXHRHYLP-UHFFFAOYSA-N
MW466.41 g/mol
LogP6.20
Rot. Bonds7

About 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide

2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide (PubChem CID 165166152) has the molecular formula C24H29Cl2NO4 and a molecular weight of 466.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
PubChem CID165166152
Molecular FormulaC24H29Cl2NO4
Molecular Weight466.41 g/mol
Exact Mass465.15
IUPAC Name2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(C(=O)NCC3CCCC(O)C3)c2Cl)cc1C(C)C
InChIInChI=1S/C24H29Cl2NO4/c1-14(2)19-12-17(7-10-21(19)30-3)31-23-20(25)9-8-18(22(23)26)24(29)27-13-15-5-4-6-16(28)11-15/h7-10,12,14-16,28H,4-6,11,13H2,1-3H3,(H,27,29)
InChIKeyKSVIRIPXHRHYLP-UHFFFAOYSA-N
XLogP6.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 155781681
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 155781686
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide (CID 165166152) is 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide is COc1ccc(Oc2c(Cl)ccc(C(=O)NCC3CCCC(O)C3)c2Cl)cc1C(C)C.
What is the InChIKey of 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
The InChIKey is KSVIRIPXHRHYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2NO4/c1-14(2)19-12-17(7-10-21(19)30-3)31-23-20(25)9-8-18(22(23)26)24(29)27-13-15-5-4-6-16(28)11-15/h7-10,12,14-16,28H,4-6,11,13H2,1-3H3,(H,27,29).
What are the key properties of 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide has a molecular weight of 466.41 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 165166152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).