N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride

C19H21ClN6O — CID 154905256

IUPACN-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1
InChIInChI=1S/C19H20N6O.ClH/c20-16-9-10-17(11-16)21-19(26)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-22-24-25-23-18;/h1-8,16-17H,9-11,20H2,(H,21,26)(H,22,23,24,25);1H/t16-,17+;/m1./s1
InChIKeyUMDGLCSUOLUXAX-PPPUBMIESA-N
MW384.87 g/mol
LogP2.57
Rot. Bonds4

About N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride

N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride (PubChem CID 154905256) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride
PubChem CID154905256
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC NameN-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1
InChIInChI=1S/C19H20N6O.ClH/c20-16-9-10-17(11-16)21-19(26)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-22-24-25-23-18;/h1-8,16-17H,9-11,20H2,(H,21,26)(H,22,23,24,25);1H/t16-,17+;/m1./s1
InChIKeyUMDGLCSUOLUXAX-PPPUBMIESA-N
XLogP2.57
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride?
The IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride (CID 154905256) is N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride is Cl.N[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1.
What is the InChIKey of N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride?
The InChIKey is UMDGLCSUOLUXAX-PPPUBMIESA-N. The full InChI is InChI=1S/C19H20N6O.ClH/c20-16-9-10-17(11-16)21-19(26)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-22-24-25-23-18;/h1-8,16-17H,9-11,20H2,(H,21,26)(H,22,23,24,25);1H/t16-,17+;/m1./s1.
What are the key properties of N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride?
N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 154905256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).