4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

C19H21N5O — CID 855944

IUPAC4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-n1cnnn1
InChIInChI=1S/C19H21N5O/c1-13-5-10-16(11-17(13)24-12-20-22-23-24)21-18(25)14-6-8-15(9-7-14)19(2,3)4/h5-12H,1-4H3,(H,21,25)
InChIKeyKFTWJKGIJWKBKY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.52
Rot. Bonds3

About 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 855944) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID855944
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-n1cnnn1
InChIInChI=1S/C19H21N5O/c1-13-5-10-16(11-17(13)24-12-20-22-23-24)21-18(25)14-6-8-15(9-7-14)19(2,3)4/h5-12H,1-4H3,(H,21,25)
InChIKeyKFTWJKGIJWKBKY-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 55614160
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788200
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224162
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 855944) is 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-n1cnnn1.
What is the InChIKey of 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is KFTWJKGIJWKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-5-10-16(11-17(13)24-12-20-22-23-24)21-18(25)14-6-8-15(9-7-14)19(2,3)4/h5-12H,1-4H3,(H,21,25).
What are the key properties of 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 855944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).