N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119299320

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CNC(=O)C2CCCN2)c1)C1CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(14-6-1-2-7-14)21-15-8-3-5-13(11-15)12-20-18(23)16-9-4-10-19-16;/h3,5,8,11,14,16,19H,1-2,4,6-7,9-10,12H2,(H,20,23)(H,21,22);1H
InChIKeySGDIXCRNORCGAC-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.61
Rot. Bonds5

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119299320) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119299320
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CNC(=O)C2CCCN2)c1)C1CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(14-6-1-2-7-14)21-15-8-3-5-13(11-15)12-20-18(23)16-9-4-10-19-16;/h3,5,8,11,14,16,19H,1-2,4,6-7,9-10,12H2,(H,20,23)(H,21,22);1H
InChIKeySGDIXCRNORCGAC-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119299320) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(CNC(=O)C2CCCN2)c1)C1CCCC1.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SGDIXCRNORCGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(14-6-1-2-7-14)21-15-8-3-5-13(11-15)12-20-18(23)16-9-4-10-19-16;/h3,5,8,11,14,16,19H,1-2,4,6-7,9-10,12H2,(H,20,23)(H,21,22);1H.
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119299320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).