2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide

C14H17Cl2NO2 — CID 141116352

IUPAC2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESNC(=O)C(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-10-5-4-9(8-11(10)16)12(13(17)18)14(19)6-2-1-3-7-14/h4-5,8,12,19H,1-3,6-7H2,(H2,17,18)
InChIKeyRFFRTGRIPOYMDM-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.26
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide

2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 141116352) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID141116352
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESNC(=O)C(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-10-5-4-9(8-11(10)16)12(13(17)18)14(19)6-2-1-3-7-14/h4-5,8,12,19H,1-3,6-7H2,(H2,17,18)
InChIKeyRFFRTGRIPOYMDM-UHFFFAOYSA-N
XLogP3.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
tert-butyl N-[1-[2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamate
CID 86599033
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
CID 14739989
1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 107560180
[(3,4-dichlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281293
[1-[2-(3-chloro-4-hydroxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid
CID 68867047
N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 134014985
(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
CID 125466602
(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 129389781
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide (CID 141116352) is 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide is NC(=O)C(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is RFFRTGRIPOYMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-10-5-4-9(8-11(10)16)12(13(17)18)14(19)6-2-1-3-7-14/h4-5,8,12,19H,1-3,6-7H2,(H2,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 141116352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).