N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide

C18H24Cl2N2O2 — CID 113056706

IUPACN-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C18H24Cl2N2O2/c1-13(23)22(15-6-4-2-3-5-7-15)11-10-21-18(24)14-8-9-16(19)17(20)12-14/h8-9,12,15H,2-7,10-11H2,1H3,(H,21,24)
InChIKeyHONVWMQJDXTMBC-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.29
Rot. Bonds5

About N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide

N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide (PubChem CID 113056706) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
PubChem CID113056706
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C18H24Cl2N2O2/c1-13(23)22(15-6-4-2-3-5-7-15)11-10-21-18(24)14-8-9-16(19)17(20)12-14/h8-9,12,15H,2-7,10-11H2,1H3,(H,21,24)
InChIKeyHONVWMQJDXTMBC-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
CID 113052919
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide (CID 113056706) is N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide is CC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCCC1.
What is the InChIKey of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide?
The InChIKey is HONVWMQJDXTMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-13(23)22(15-6-4-2-3-5-7-15)11-10-21-18(24)14-8-9-16(19)17(20)12-14/h8-9,12,15H,2-7,10-11H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide?
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide has a molecular weight of 371.31 g/mol, XLogP of 4.29, 5 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]-3,4-dichlorobenzamide is sourced from PubChem (CID 113056706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).