4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H10ClN7O3 — CID 62160244

IUPAC4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1nn[nH]n1
InChIInChI=1S/C10H10ClN7O3/c1-4(9-14-16-17-15-9)13-10(19)5-2-6(11)8(12)7(3-5)18(20)21/h2-4H,12H2,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyQNSDNTAOZOPAEU-UHFFFAOYSA-N
MW311.69 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 62160244) has the molecular formula C10H10ClN7O3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID62160244
Molecular FormulaC10H10ClN7O3
Molecular Weight311.69 g/mol
Exact Mass311.05
IUPAC Name4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1nn[nH]n1
InChIInChI=1S/C10H10ClN7O3/c1-4(9-14-16-17-15-9)13-10(19)5-2-6(11)8(12)7(3-5)18(20)21/h2-4H,12H2,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyQNSDNTAOZOPAEU-UHFFFAOYSA-N
XLogP0.83
TPSA152.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62247833
4-amino-3-chloro-N-hexan-2-yl-5-nitrobenzamide
CID 62199360
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 107939725
4-amino-3-chloro-5-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 83145025
2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 79758317
5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
N-(2-acetamidoethyl)-4-amino-3-chloro-5-nitrobenzamide
CID 62155140
4-amino-3-chloro-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62154118
methyl 2-[(3,4-dichloro-5-nitrobenzoyl)amino]propanoate
CID 60654184
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 62160244) is 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1nn[nH]n1.
What is the InChIKey of 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is QNSDNTAOZOPAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN7O3/c1-4(9-14-16-17-15-9)13-10(19)5-2-6(11)8(12)7(3-5)18(20)21/h2-4H,12H2,1H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 311.69 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 62160244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).