2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride

C20H23ClFN7O — CID 120759972

IUPAC2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
SMILESCl.NC[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22FN7O.ClH/c21-18-7-6-16(28-13-23-25-26-28)8-19(18)24-20(29)12-27-10-15(9-22)17(11-27)14-4-2-1-3-5-14;/h1-8,13,15,17H,9-12,22H2,(H,24,29);1H/t15-,17+;/m1./s1
InChIKeyZHFLWOPYQOIVLU-KALLACGZSA-N
MW431.90 g/mol
LogP1.84
Rot. Bonds6

About 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride

2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride (PubChem CID 120759972) has the molecular formula C20H23ClFN7O and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
PubChem CID120759972
Molecular FormulaC20H23ClFN7O
Molecular Weight431.90 g/mol
Exact Mass431.16
IUPAC Name2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
SMILESCl.NC[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22FN7O.ClH/c21-18-7-6-16(28-13-23-25-26-28)8-19(18)24-20(29)12-27-10-15(9-22)17(11-27)14-4-2-1-3-5-14;/h1-8,13,15,17H,9-12,22H2,(H,24,29);1H/t15-,17+;/m1./s1
InChIKeyZHFLWOPYQOIVLU-KALLACGZSA-N
XLogP1.84
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 120758869
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120745462
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 120758870
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 120759742
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 120757045
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755849
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 120759607

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride (CID 120759972) is 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride is Cl.NC[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The InChIKey is ZHFLWOPYQOIVLU-KALLACGZSA-N. The full InChI is InChI=1S/C20H22FN7O.ClH/c21-18-7-6-16(28-13-23-25-26-28)8-19(18)24-20(29)12-27-10-15(9-22)17(11-27)14-4-2-1-3-5-14;/h1-8,13,15,17H,9-12,22H2,(H,24,29);1H/t15-,17+;/m1./s1.
What are the key properties of 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride has a molecular weight of 431.90 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120759972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).