N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide

C13H15N5O2 — CID 43576735

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(c1cccc(-c2nn[nH]n2)c1)N(CCO)C1CC1
InChIInChI=1S/C13H15N5O2/c19-7-6-18(11-4-5-11)13(20)10-3-1-2-9(8-10)12-14-16-17-15-12/h1-3,8,11,19H,4-7H2,(H,14,15,16,17)
InChIKeyXCZAFURMXXCKPV-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.46
Rot. Bonds5

About N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide

N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 43576735) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID43576735
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(c1cccc(-c2nn[nH]n2)c1)N(CCO)C1CC1
InChIInChI=1S/C13H15N5O2/c19-7-6-18(11-4-5-11)13(20)10-3-1-2-9(8-10)12-14-16-17-15-12/h1-3,8,11,19H,4-7H2,(H,14,15,16,17)
InChIKeyXCZAFURMXXCKPV-UHFFFAOYSA-N
XLogP0.46
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 164640585
4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755862
N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 103770342
3-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 105648719
N-(3,3-difluoro-2-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 105649080
N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106168731
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 107482851
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide
CID 107482934
N-(2,2-difluoroethyl)-N-methyl-3-(2H-tetrazol-5-yl)benzamide
CID 166311787
N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide
CID 166311857
[3-(fluoromethyl)pyrrolidin-1-yl]-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methanone
CID 166311894
[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-[4-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone
CID 166311977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide (CID 43576735) is N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide is O=C(c1cccc(-c2nn[nH]n2)c1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is XCZAFURMXXCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-7-6-18(11-4-5-11)13(20)10-3-1-2-9(8-10)12-14-16-17-15-12/h1-3,8,11,19H,4-7H2,(H,14,15,16,17).
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 273.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 43576735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).