N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide

C19H20ClN5O2 — CID 90185417

IUPACN-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)Cc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C19H20ClN5O2/c1-19(2,11-21-18(27)15-5-3-4-6-16(15)26)10-12-9-13(20)7-8-14(12)17-22-24-25-23-17/h3-9,26H,10-11H2,1-2H3,(H,21,27)(H,22,23,24,25)
InChIKeyNQCGVHFDNVWYNI-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.22
Rot. Bonds6

About N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide

N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide (PubChem CID 90185417) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
PubChem CID90185417
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)Cc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C19H20ClN5O2/c1-19(2,11-21-18(27)15-5-3-4-6-16(15)26)10-12-9-13(20)7-8-14(12)17-22-24-25-23-17/h3-9,26H,10-11H2,1-2H3,(H,21,27)(H,22,23,24,25)
InChIKeyNQCGVHFDNVWYNI-UHFFFAOYSA-N
XLogP3.22
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,2-dimethyl-3-(2-phenylphenyl)propyl]-2-hydroxybenzamide
CID 118471963
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid
CID 154036998
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide (CID 90185417) is N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide is CC(C)(CNC(=O)c1ccccc1O)Cc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
The InChIKey is NQCGVHFDNVWYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-19(2,11-21-18(27)15-5-3-4-6-16(15)26)10-12-9-13(20)7-8-14(12)17-22-24-25-23-17/h3-9,26H,10-11H2,1-2H3,(H,21,27)(H,22,23,24,25).
What are the key properties of N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide has a molecular weight of 385.86 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 90185417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).