N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide

C17H24Cl2N2O — CID 112764661

IUPACN-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCCCN1CCCCCC1
InChIInChI=1S/C17H24Cl2N2O/c18-15-7-5-8-16(19)14(15)13-17(22)20-9-6-12-21-10-3-1-2-4-11-21/h5,7-8H,1-4,6,9-13H2,(H,20,22)
InChIKeyXBSNLSGRYRRASE-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.92
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide

N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 112764661) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID112764661
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCCCN1CCCCCC1
InChIInChI=1S/C17H24Cl2N2O/c18-15-7-5-8-16(19)14(15)13-17(22)20-9-6-12-21-10-3-1-2-4-11-21/h5,7-8H,1-4,6,9-13H2,(H,20,22)
InChIKeyXBSNLSGRYRRASE-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925
N-[3-(azepan-1-yl)propyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 99951347
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide (CID 112764661) is N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)NCCCN1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is XBSNLSGRYRRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c18-15-7-5-8-16(19)14(15)13-17(22)20-9-6-12-21-10-3-1-2-4-11-21/h5,7-8H,1-4,6,9-13H2,(H,20,22).
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide?
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 343.30 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 112764661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).