(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

C20H21N5O2 — CID 7205767

IUPAC(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)n1nnc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-14(25-18-11-5-4-10-17(18)22-23-25)19(26)21-16-9-3-2-8-15(16)20(27)24-12-6-7-13-24/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,26)/t14-/m1/s1
InChIKeyZKXCLDUSOSCKHM-CQSZACIVSA-N
MW363.42 g/mol
LogP2.87
Rot. Bonds4

About (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 7205767) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID7205767
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)n1nnc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-14(25-18-11-5-4-10-17(18)22-23-25)19(26)21-16-9-3-2-8-15(16)20(27)24-12-6-7-13-24/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,26)/t14-/m1/s1
InChIKeyZKXCLDUSOSCKHM-CQSZACIVSA-N
XLogP2.87
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
CID 3356312
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide
CID 99824360
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 40796739
N-[2-(piperidine-1-carbonyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 35275235
2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
CID 1485409
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 7205767) is (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)n1nnc2ccccc21.
What is the InChIKey of (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZKXCLDUSOSCKHM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(25-18-11-5-4-10-17(18)22-23-25)19(26)21-16-9-3-2-8-15(16)20(27)24-12-6-7-13-24/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,26)/t14-/m1/s1.
What are the key properties of (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 7205767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).