N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide

C19H27ClN2O2 — CID 113056717

IUPACN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C19H27ClN2O2/c1-15(23)22(18-6-4-2-3-5-7-18)13-12-21-19(24)14-16-8-10-17(20)11-9-16/h8-11,18H,2-7,12-14H2,1H3,(H,21,24)
InChIKeyFEFICPJSNXFHOX-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.57
Rot. Bonds6

About N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113056717) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113056717
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C19H27ClN2O2/c1-15(23)22(18-6-4-2-3-5-7-18)13-12-21-19(24)14-16-8-10-17(20)11-9-16/h8-11,18H,2-7,12-14H2,1H3,(H,21,24)
InChIKeyFEFICPJSNXFHOX-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide (CID 113056717) is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is FEFICPJSNXFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-15(23)22(18-6-4-2-3-5-7-18)13-12-21-19(24)14-16-8-10-17(20)11-9-16/h8-11,18H,2-7,12-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 350.89 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113056717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).