3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

C18H26Cl2N2O2 — CID 119749889

IUPAC3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)C1
InChIInChI=1S/C18H25ClN2O2.ClH/c19-15-3-1-2-14(11-15)18(6-8-23-9-7-18)12-21-17(22)13-4-5-16(20)10-13;/h1-3,11,13,16H,4-10,12,20H2,(H,21,22);1H
InChIKeyKNKSURYMUNOOQP-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119749889) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119749889
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)C1
InChIInChI=1S/C18H25ClN2O2.ClH/c19-15-3-1-2-14(11-15)18(6-8-23-9-7-18)12-21-17(22)13-4-5-16(20)10-13;/h1-3,11,13,16H,4-10,12,20H2,(H,21,22);1H
InChIKeyKNKSURYMUNOOQP-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
trans-(1R,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687322
3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
cis-(1S,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687340
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119768583
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119749889) is 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)C1.
What is the InChIKey of 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KNKSURYMUNOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.ClH/c19-15-3-1-2-14(11-15)18(6-8-23-9-7-18)12-21-17(22)13-4-5-16(20)10-13;/h1-3,11,13,16H,4-10,12,20H2,(H,21,22);1H.
What are the key properties of 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 373.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119749889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).