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

C12H13N5O2 — CID 52885534

IUPAC4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C12H13N5O2/c18-11(13-12-14-16-17-15-12)9-3-5-10(6-4-9)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14,15,16,17,18)
InChIKeyDEYWNKSAZBNMDJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.24
Rot. Bonds5

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

4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 52885534) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
PubChem CID52885534
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C12H13N5O2/c18-11(13-12-14-16-17-15-12)9-3-5-10(6-4-9)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14,15,16,17,18)
InChIKeyDEYWNKSAZBNMDJ-UHFFFAOYSA-N
XLogP1.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 57246495
4-(cyclopropylmethoxy)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 60572307
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 118695720
2-(4-cyanophenoxy)-N-(2H-tetrazol-5-yl)acetamide
CID 2374767

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide (CID 52885534) is 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DEYWNKSAZBNMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-11(13-12-14-16-17-15-12)9-3-5-10(6-4-9)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14,15,16,17,18).
What are the key properties of 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 52885534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).