2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide

C19H19ClN6O2 — CID 55673413

IUPAC2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1Cl
InChIInChI=1S/C19H19ClN6O2/c1-3-25(4-2)19(28)14-10-9-13(11-16(14)20)22-18(27)15-7-5-6-8-17(15)26-12-21-23-24-26/h5-12H,3-4H2,1-2H3,(H,22,27)
InChIKeyNEVPPCNVSJEEOK-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.05
Rot. Bonds6

About 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide

2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide (PubChem CID 55673413) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
PubChem CID55673413
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1Cl
InChIInChI=1S/C19H19ClN6O2/c1-3-25(4-2)19(28)14-10-9-13(11-16(14)20)22-18(27)15-7-5-6-8-17(15)26-12-21-23-24-26/h5-12H,3-4H2,1-2H3,(H,22,27)
InChIKeyNEVPPCNVSJEEOK-UHFFFAOYSA-N
XLogP3.05
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
N-dibenzofuran-3-yl-2-(tetrazol-1-yl)benzamide
CID 60553387
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39469992
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide (CID 55673413) is 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide?
The InChIKey is NEVPPCNVSJEEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-3-25(4-2)19(28)14-10-9-13(11-16(14)20)22-18(27)15-7-5-6-8-17(15)26-12-21-23-24-26/h5-12H,3-4H2,1-2H3,(H,22,27).
What are the key properties of 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide?
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide has a molecular weight of 398.85 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 55673413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).