4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide

C11H13N5O — CID 5192520

IUPAC4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-7(2)8-3-5-9(6-4-8)10(17)12-11-13-15-16-14-11/h3-7H,1-2H3,(H2,12,13,14,15,16,17)
InChIKeyXFTFROQHFXDGKC-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.58
Rot. Bonds3

About 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide

4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 5192520) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
PubChem CID5192520
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-7(2)8-3-5-9(6-4-8)10(17)12-11-13-15-16-14-11/h3-7H,1-2H3,(H2,12,13,14,15,16,17)
InChIKeyXFTFROQHFXDGKC-UHFFFAOYSA-N
XLogP1.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
CID 22501762
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide
CID 3027075
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
4-[1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-N-(2H-tetrazol-5-yl)benzamide
CID 10077369
4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 57246495
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448
2-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 82109317

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide (CID 5192520) is 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide is CC(C)c1ccc(C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is XFTFROQHFXDGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(2)8-3-5-9(6-4-8)10(17)12-11-13-15-16-14-11/h3-7H,1-2H3,(H2,12,13,14,15,16,17).
What are the key properties of 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide?
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 5192520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).