(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide

C17H25ClN2O — CID 9460529

IUPAC(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCCC1
InChIInChI=1S/C17H25ClN2O/c1-13-8-9-15(18)12-16(13)19-17(21)14(2)20-10-6-4-3-5-7-11-20/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyFFYWEQJHJRCBPE-CQSZACIVSA-N
MW308.85 g/mol
LogP4.24
Rot. Bonds3

About (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide

(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 9460529) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID9460529
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCCC1
InChIInChI=1S/C17H25ClN2O/c1-13-8-9-15(18)12-16(13)19-17(21)14(2)20-10-6-4-3-5-7-11-20/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyFFYWEQJHJRCBPE-CQSZACIVSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
CID 97070928
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide (CID 9460529) is (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCCC1.
What is the InChIKey of (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is FFYWEQJHJRCBPE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13-8-9-15(18)12-16(13)19-17(21)14(2)20-10-6-4-3-5-7-11-20/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 308.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 9460529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).