N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide

C18H18N6O2 — CID 31303419

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H18N6O2/c1-2-13-6-3-4-9-16(13)21-17(25)11-19-18(26)14-7-5-8-15(10-14)24-12-20-22-23-24/h3-10,12H,2,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyOHHHUQFOJPBEGY-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 31303419) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID31303419
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H18N6O2/c1-2-13-6-3-4-9-16(13)21-17(25)11-19-18(26)14-7-5-8-15(10-14)24-12-20-22-23-24/h3-10,12H,2,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyOHHHUQFOJPBEGY-UHFFFAOYSA-N
XLogP1.59
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide
CID 56800574
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide (CID 31303419) is N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide is CCc1ccccc1NC(=O)CNC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is OHHHUQFOJPBEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-13-6-3-4-9-16(13)21-17(25)11-19-18(26)14-7-5-8-15(10-14)24-12-20-22-23-24/h3-10,12H,2,11H2,1H3,(H,19,26)(H,21,25).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 350.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 31303419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).