3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide

C19H19N5O — CID 46408400

IUPAC3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C19H19N5O/c1-14-11-15(7-8-17(14)24-13-21-22-23-24)18(25)20-12-19(9-10-19)16-5-3-2-4-6-16/h2-8,11,13H,9-10,12H2,1H3,(H,20,25)
InChIKeyCGABGIRBJGVCMU-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.43
Rot. Bonds5

About 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide

3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 46408400) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID46408400
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C19H19N5O/c1-14-11-15(7-8-17(14)24-13-21-22-23-24)18(25)20-12-19(9-10-19)16-5-3-2-4-6-16/h2-8,11,13H,9-10,12H2,1H3,(H,20,25)
InChIKeyCGABGIRBJGVCMU-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51099931
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-(tetrazol-1-yl)benzoate
CID 31452805
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 31002678
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616644
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616466
3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 100851579
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide (CID 46408400) is 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is CGABGIRBJGVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-11-15(7-8-17(14)24-13-21-22-23-24)18(25)20-12-19(9-10-19)16-5-3-2-4-6-16/h2-8,11,13H,9-10,12H2,1H3,(H,20,25).
What are the key properties of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide?
3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 333.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46408400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).