3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide

C17H16ClN5O2 — CID 18565554

IUPAC3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCCOc1ccc(-n2nnnc2CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-2-25-15-8-6-14(7-9-15)23-16(20-21-22-23)11-19-17(24)12-4-3-5-13(18)10-12/h3-10H,2,11H2,1H3,(H,19,24)
InChIKeyQYVIDSWHPASEPL-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.64
Rot. Bonds6

About 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide

3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 18565554) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID18565554
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCCOc1ccc(-n2nnnc2CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-2-25-15-8-6-14(7-9-15)23-16(20-21-22-23)11-19-17(24)12-4-3-5-13(18)10-12/h3-10H,2,11H2,1H3,(H,19,24)
InChIKeyQYVIDSWHPASEPL-UHFFFAOYSA-N
XLogP2.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565556
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide
CID 4636503
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
4-(1,3-dioxoisoindol-2-yl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]butanamide
CID 18565603
(3S)-1-(4-ethoxyphenyl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 41128963
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide (CID 18565554) is 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide is CCOc1ccc(-n2nnnc2CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is QYVIDSWHPASEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-2-25-15-8-6-14(7-9-15)23-16(20-21-22-23)11-19-17(24)12-4-3-5-13(18)10-12/h3-10H,2,11H2,1H3,(H,19,24).
What are the key properties of 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide?
3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 357.80 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 18565554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).