4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride

C19H23ClN6O — CID 22501762

IUPAC4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
SMILESCC(C)(C)c1ccc(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1.Cl
InChIInChI=1S/C19H22N6O.ClH/c1-19(2,3)15-8-10-16(11-9-15)20-12-13-4-6-14(7-5-13)17(26)21-18-22-24-25-23-18;/h4-11,20H,12H2,1-3H3,(H2,21,22,23,24,25,26);1H
InChIKeyKYNPBDLAHOGOFO-UHFFFAOYSA-N
MW386.89 g/mol
LogP3.78
Rot. Bonds5

About 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride

4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride (PubChem CID 22501762) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
PubChem CID22501762
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
SMILESCC(C)(C)c1ccc(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1.Cl
InChIInChI=1S/C19H22N6O.ClH/c1-19(2,3)15-8-10-16(11-9-15)20-12-13-4-6-14(7-5-13)17(26)21-18-22-24-25-23-18;/h4-11,20H,12H2,1-3H3,(H2,21,22,23,24,25,26);1H
InChIKeyKYNPBDLAHOGOFO-UHFFFAOYSA-N
XLogP3.78
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 142253894
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 57246495
3-[[(4-tert-butylphenyl)-[[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]methyl]carbamoyl]amino]-N,N-dimethylbenzamide
CID 22502345
4-[[4-tert-butyl-N-[(3-phenylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549831
4-[[4-tert-butyl-N-[(3-methylsulfanylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549819
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 45251703
4-[[2-(4-tert-butylphenyl)imino-3-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11238141

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride?
The IUPAC name of 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride (CID 22501762) is 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride is CC(C)(C)c1ccc(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1.Cl.
What is the InChIKey of 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride?
The InChIKey is KYNPBDLAHOGOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.ClH/c1-19(2,3)15-8-10-16(11-9-15)20-12-13-4-6-14(7-5-13)17(26)21-18-22-24-25-23-18;/h4-11,20H,12H2,1-3H3,(H2,21,22,23,24,25,26);1H.
What are the key properties of 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride?
4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride has a molecular weight of 386.89 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 22501762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).