N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H23ClN2O — CID 119315824

IUPACN-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-5-2-3-6-13(12)16(8-9-16)11-18-15(19)14-7-4-10-17-14;/h2-3,5-6,14,17H,4,7-11H2,1H3,(H,18,19);1H
InChIKeyZJUAFNWEPSFGTD-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.32
Rot. Bonds4

About N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119315824) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119315824
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-5-2-3-6-13(12)16(8-9-16)11-18-15(19)14-7-4-10-17-14;/h2-3,5-6,14,17H,4,7-11H2,1H3,(H,18,19);1H
InChIKeyZJUAFNWEPSFGTD-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119770261
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
(3S,4S)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120930637
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[1-(2-methylphenyl)cyclohexyl]methyl]morpholine-2-carboxamide
CID 119767062
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119749801

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119315824) is N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ccccc1C1(CNC(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZJUAFNWEPSFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-12-5-2-3-6-13(12)16(8-9-16)11-18-15(19)14-7-4-10-17-14;/h2-3,5-6,14,17H,4,7-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119315824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).