N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide

C16H21ClN6O — CID 125445949

IUPACN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C16H21ClN6O/c17-14-5-3-13(4-6-14)15(22-8-1-2-9-22)11-18-16(24)7-10-23-12-19-20-21-23/h3-6,12,15H,1-2,7-11H2,(H,18,24)/t15-/m0/s1
InChIKeyJRFHZEXTYATBDD-HNNXBMFYSA-N
MW348.84 g/mol
LogP1.67
Rot. Bonds7

About N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide

N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 125445949) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
PubChem CID125445949
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C16H21ClN6O/c17-14-5-3-13(4-6-14)15(22-8-1-2-9-22)11-18-16(24)7-10-23-12-19-20-21-23/h3-6,12,15H,1-2,7-11H2,(H,18,24)/t15-/m0/s1
InChIKeyJRFHZEXTYATBDD-HNNXBMFYSA-N
XLogP1.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 99972818
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125169295
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
CID 118773901
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 7496263
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide (CID 125445949) is N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is JRFHZEXTYATBDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c17-14-5-3-13(4-6-14)15(22-8-1-2-9-22)11-18-16(24)7-10-23-12-19-20-21-23/h3-6,12,15H,1-2,7-11H2,(H,18,24)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide?
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 348.84 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 125445949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).