N-(azepan-4-yl)-2-chloro-N-methylbenzamide

C14H19ClN2O — CID 104974708

IUPACN-(azepan-4-yl)-2-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)C1CCCNCC1
InChIInChI=1S/C14H19ClN2O/c1-17(11-5-4-9-16-10-8-11)14(18)12-6-2-3-7-13(12)15/h2-3,6-7,11,16H,4-5,8-10H2,1H3
InChIKeyPZHACPRCMRAPRN-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.55
Rot. Bonds2

About N-(azepan-4-yl)-2-chloro-N-methylbenzamide

N-(azepan-4-yl)-2-chloro-N-methylbenzamide (PubChem CID 104974708) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-chloro-N-methylbenzamide
PubChem CID104974708
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(azepan-4-yl)-2-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)C1CCCNCC1
InChIInChI=1S/C14H19ClN2O/c1-17(11-5-4-9-16-10-8-11)14(18)12-6-2-3-7-13(12)15/h2-3,6-7,11,16H,4-5,8-10H2,1H3
InChIKeyPZHACPRCMRAPRN-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
CID 104974738
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
N-(azepan-4-yl)-N,3-dimethyl-2-nitrobenzamide
CID 107172411
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-chloro-N-methylbenzamide?
The IUPAC name of N-(azepan-4-yl)-2-chloro-N-methylbenzamide (CID 104974708) is N-(azepan-4-yl)-2-chloro-N-methylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2-chloro-N-methylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-2-chloro-N-methylbenzamide is CN(C(=O)c1ccccc1Cl)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-chloro-N-methylbenzamide?
The InChIKey is PZHACPRCMRAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(11-5-4-9-16-10-8-11)14(18)12-6-2-3-7-13(12)15/h2-3,6-7,11,16H,4-5,8-10H2,1H3.
What are the key properties of N-(azepan-4-yl)-2-chloro-N-methylbenzamide?
N-(azepan-4-yl)-2-chloro-N-methylbenzamide has a molecular weight of 266.77 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-chloro-N-methylbenzamide is sourced from PubChem (CID 104974708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).