1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride

C19H28Cl2N2O — CID 119534101

IUPAC1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H27ClN2O.ClH/c20-17-6-4-16(5-7-17)19(10-2-1-3-11-19)18(23)22-13-9-15-8-12-21-14-15;/h4-7,15,21H,1-3,8-14H2,(H,22,23);1H
InChIKeyYCBNAFHBXPRKDC-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride

1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119534101) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119534101
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H27ClN2O.ClH/c20-17-6-4-16(5-7-17)19(10-2-1-3-11-19)18(23)22-13-9-15-8-12-21-14-15;/h4-7,15,21H,1-3,8-14H2,(H,22,23);1H
InChIKeyYCBNAFHBXPRKDC-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119555237
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721
1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119534547
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119534101) is 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YCBNAFHBXPRKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.ClH/c20-17-6-4-16(5-7-17)19(10-2-1-3-11-19)18(23)22-13-9-15-8-12-21-14-15;/h4-7,15,21H,1-3,8-14H2,(H,22,23);1H.
What are the key properties of 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119534101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).