3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide

C17H14Cl2N6O2 — CID 34812905

IUPAC3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H14Cl2N6O2/c18-14-5-4-12(9-15(14)19)17(27)21-7-6-20-16(26)11-2-1-3-13(8-11)25-10-22-23-24-25/h1-5,8-10H,6-7H2,(H,20,26)(H,21,27)
InChIKeyPOINQPAHQGEQAA-UHFFFAOYSA-N
MW405.25 g/mol
LogP2.13
Rot. Bonds6

About 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide

3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 34812905) has the molecular formula C17H14Cl2N6O2 and a molecular weight of 405.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
PubChem CID34812905
Molecular FormulaC17H14Cl2N6O2
Molecular Weight405.25 g/mol
Exact Mass404.06
IUPAC Name3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H14Cl2N6O2/c18-14-5-4-12(9-15(14)19)17(27)21-7-6-20-16(26)11-2-1-3-13(8-11)25-10-22-23-24-25/h1-5,8-10H,6-7H2,(H,20,26)(H,21,27)
InChIKeyPOINQPAHQGEQAA-UHFFFAOYSA-N
XLogP2.13
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
3,4-dichloro-N-[2-[[3-(3,6-dioxo-1H-pyridazin-2-yl)benzoyl]amino]ethyl]benzamide
CID 86873544
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide (CID 34812905) is 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide?
The InChIKey is POINQPAHQGEQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6O2/c18-14-5-4-12(9-15(14)19)17(27)21-7-6-20-16(26)11-2-1-3-13(8-11)25-10-22-23-24-25/h1-5,8-10H,6-7H2,(H,20,26)(H,21,27).
What are the key properties of 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide?
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 405.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 34812905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).