(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119284338

IUPAC(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-15-13(18)10-5-7-11(8-6-10)17-14(19)12-4-3-9-16-12;/h5-8,12,16H,2-4,9H2,1H3,(H,15,18)(H,17,19);1H/t12-;/m0./s1
InChIKeyXIVHTHFDSAAXMS-YDALLXLXSA-N
MW297.79 g/mol
LogP1.55
Rot. Bonds4

About (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119284338) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119284338
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-15-13(18)10-5-7-11(8-6-10)17-14(19)12-4-3-9-16-12;/h5-8,12,16H,2-4,9H2,1H3,(H,15,18)(H,17,19);1H/t12-;/m0./s1
InChIKeyXIVHTHFDSAAXMS-YDALLXLXSA-N
XLogP1.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871
N-[4-(ethylcarbamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119714110
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233974
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963
(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703073
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119284338) is (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2)cc1.Cl.
What is the InChIKey of (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XIVHTHFDSAAXMS-YDALLXLXSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-2-15-13(18)10-5-7-11(8-6-10)17-14(19)12-4-3-9-16-12;/h5-8,12,16H,2-4,9H2,1H3,(H,15,18)(H,17,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119284338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).