3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide

C15H19Cl2NO3 — CID 64866551

IUPAC3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC2(O)CCCCC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-9-15(20)5-3-2-4-6-15/h7-8,20H,2-6,9H2,1H3,(H,18,19)
InChIKeyWGVZDXCGSKIXFM-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.43
Rot. Bonds4

About 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide

3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 64866551) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
PubChem CID64866551
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC2(O)CCCCC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-9-15(20)5-3-2-4-6-15/h7-8,20H,2-6,9H2,1H3,(H,18,19)
InChIKeyWGVZDXCGSKIXFM-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123513
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 51924106

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide (CID 64866551) is 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCC2(O)CCCCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is WGVZDXCGSKIXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-9-15(20)5-3-2-4-6-15/h7-8,20H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 332.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 64866551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).