N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide

C14H17Cl2NO2 — CID 102684283

IUPACN-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CCO)C1CCC1
InChIInChI=1S/C14H17Cl2NO2/c15-12-5-4-10(8-13(12)16)9-14(19)17(6-7-18)11-2-1-3-11/h4-5,8,11,18H,1-3,6-7,9H2
InChIKeyCARHKLHFYIEMPI-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.91
Rot. Bonds5

About N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide

N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 102684283) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
PubChem CID102684283
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CCO)C1CCC1
InChIInChI=1S/C14H17Cl2NO2/c15-12-5-4-10(8-13(12)16)9-14(19)17(6-7-18)11-2-1-3-11/h4-5,8,11,18H,1-3,6-7,9H2
InChIKeyCARHKLHFYIEMPI-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-cyclobutyl-N-(2-hydroxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 102684894
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide (CID 102684283) is N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is CARHKLHFYIEMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-12-5-4-10(8-13(12)16)9-14(19)17(6-7-18)11-2-1-3-11/h4-5,8,11,18H,1-3,6-7,9H2.
What are the key properties of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide?
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 302.20 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102684283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).