N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride

C15H22Cl2N2O — CID 24836116

IUPACN-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)CCCN1CCCC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-12-6-4-7-13(16)15(12)17-14(19)8-5-11-18-9-2-3-10-18;/h4,6-7H,2-3,5,8-11H2,1H3,(H,17,19);1H
InChIKeyMLSUDCCNLLYZNU-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.88
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride

N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride (PubChem CID 24836116) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
PubChem CID24836116
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)CCCN1CCCC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-12-6-4-7-13(16)15(12)17-14(19)8-5-11-18-9-2-3-10-18;/h4,6-7H,2-3,5,8-11H2,1H3,(H,17,19);1H
InChIKeyMLSUDCCNLLYZNU-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
CID 71973311
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 24832590
1,3-bis(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea
CID 3060895
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-piperidin-1-ylethyl)urea
CID 3060889
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride (CID 24836116) is N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride is Cc1cccc(Cl)c1NC(=O)CCCN1CCCC1.Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride?
The InChIKey is MLSUDCCNLLYZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-12-6-4-7-13(16)15(12)17-14(19)8-5-11-18-9-2-3-10-18;/h4,6-7H,2-3,5,8-11H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride?
N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride is sourced from PubChem (CID 24836116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).