N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride

C19H20ClN3O — CID 154906292

IUPACN-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride
SMILESCl.N#Cc1ccccc1-c1ccc(C(=O)N[C@H]2CC[C@@H](N)C2)cc1
InChIInChI=1S/C19H19N3O.ClH/c20-12-15-3-1-2-4-18(15)13-5-7-14(8-6-13)19(23)22-17-10-9-16(21)11-17;/h1-8,16-17H,9-11,21H2,(H,22,23);1H/t16-,17+;/m1./s1
InChIKeyVYXUPQOIOHMPDV-PPPUBMIESA-N
MW341.84 g/mol
LogP3.26
Rot. Bonds3

About N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride

N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride (PubChem CID 154906292) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride
PubChem CID154906292
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride
SMILESCl.N#Cc1ccccc1-c1ccc(C(=O)N[C@H]2CC[C@@H](N)C2)cc1
InChIInChI=1S/C19H19N3O.ClH/c20-12-15-3-1-2-4-18(15)13-5-7-14(8-6-13)19(23)22-17-10-9-16(21)11-17;/h1-8,16-17H,9-11,21H2,(H,22,23);1H/t16-,17+;/m1./s1
InChIKeyVYXUPQOIOHMPDV-PPPUBMIESA-N
XLogP3.26
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclopentyl)-4-(4-methyl-3-pyridinyl)benzamide
CID 156607697
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride
CID 154905256
N-(3-aminocyclobutyl)benzamide
CID 43594893
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 115272852
2-phenylbenzonitrile;urea
CID 162064762
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride
CID 154904178
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
CID 119479149

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride?
The IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride (CID 154906292) is N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride.
What is the SMILES notation for N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride?
The canonical SMILES for N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride is Cl.N#Cc1ccccc1-c1ccc(C(=O)N[C@H]2CC[C@@H](N)C2)cc1.
What is the InChIKey of N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride?
The InChIKey is VYXUPQOIOHMPDV-PPPUBMIESA-N. The full InChI is InChI=1S/C19H19N3O.ClH/c20-12-15-3-1-2-4-18(15)13-5-7-14(8-6-13)19(23)22-17-10-9-16(21)11-17;/h1-8,16-17H,9-11,21H2,(H,22,23);1H/t16-,17+;/m1./s1.
What are the key properties of N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride?
N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-aminocyclopentyl]-4-(2-cyanophenyl)benzamide;hydrochloride is sourced from PubChem (CID 154906292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).