2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride

C24H32Cl2N2O — CID 70532427

IUPAC2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
SMILESCc1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)cc1.Cl
InChIInChI=1S/C24H31ClN2O.ClH/c1-19-8-10-20(11-9-19)14-15-26-24(28)22-18-21(25)12-13-23(22)27-16-6-4-2-3-5-7-17-27;/h8-13,18H,2-7,14-17H2,1H3,(H,26,28);1H
InChIKeyVJNUDJRTFIGAKP-UHFFFAOYSA-N
MW435.44 g/mol
LogP6.20
Rot. Bonds5

About 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride

2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride (PubChem CID 70532427) has the molecular formula C24H32Cl2N2O and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
PubChem CID70532427
Molecular FormulaC24H32Cl2N2O
Molecular Weight435.44 g/mol
Exact Mass434.19
IUPAC Name2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
SMILESCc1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)cc1.Cl
InChIInChI=1S/C24H31ClN2O.ClH/c1-19-8-10-20(11-9-19)14-15-26-24(28)22-18-21(25)12-13-23(22)27-16-6-4-2-3-5-7-17-27;/h8-13,18H,2-7,14-17H2,1H3,(H,26,28);1H
InChIKeyVJNUDJRTFIGAKP-UHFFFAOYSA-N
XLogP6.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate
CID 10838212
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
4-[2-[[5-chloro-2-(4-ethoxycarbonylpiperazin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535745
4-[2-[[5-chloro-2-(4-methoxypiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535625
4-[2-[[5-chloro-2-(3,5-dimethylpiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 12919525
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661834
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
ethyl 4-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chlorobenzoyl]amino]ethyl]benzoate
CID 12784569
4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid
CID 12919509
methyl 4-[2-[[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]benzoyl]amino]ethyl]benzoate
CID 10670234

Frequently Asked Questions

What is the IUPAC name of 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride (CID 70532427) is 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride is Cc1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)cc1.Cl.
What is the InChIKey of 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is VJNUDJRTFIGAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O.ClH/c1-19-8-10-20(11-9-19)14-15-26-24(28)22-18-21(25)12-13-23(22)27-16-6-4-2-3-5-7-17-27;/h8-13,18H,2-7,14-17H2,1H3,(H,26,28);1H.
What are the key properties of 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride?
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 435.44 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 70532427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).