4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride

C17H19ClN6O2 — CID 154912324

IUPAC4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccc(CCN)cc2)cc(-n2cnnn2)c1.Cl
InChIInChI=1S/C17H18N6O2.ClH/c1-25-16-9-14(8-15(10-16)23-11-19-21-22-23)20-17(24)13-4-2-12(3-5-13)6-7-18;/h2-5,8-11H,6-7,18H2,1H3,(H,20,24);1H
InChIKeyYZYPWMZGBYZFNQ-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.85
Rot. Bonds6

About 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride

4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride (PubChem CID 154912324) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
PubChem CID154912324
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccc(CCN)cc2)cc(-n2cnnn2)c1.Cl
InChIInChI=1S/C17H18N6O2.ClH/c1-25-16-9-14(8-15(10-16)23-11-19-21-22-23)20-17(24)13-4-2-12(3-5-13)6-7-18;/h2-5,8-11H,6-7,18H2,1H3,(H,20,24);1H
InChIKeyYZYPWMZGBYZFNQ-UHFFFAOYSA-N
XLogP1.85
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
CID 131949493
1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131924947
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
CID 131935094
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682
4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide
CID 102695549

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride (CID 154912324) is 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride is COc1cc(NC(=O)c2ccc(CCN)cc2)cc(-n2cnnn2)c1.Cl.
What is the InChIKey of 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride?
The InChIKey is YZYPWMZGBYZFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.ClH/c1-25-16-9-14(8-15(10-16)23-11-19-21-22-23)20-17(24)13-4-2-12(3-5-13)6-7-18;/h2-5,8-11H,6-7,18H2,1H3,(H,20,24);1H.
What are the key properties of 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride?
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride has a molecular weight of 374.83 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 154912324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).