N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide

C15H13Cl2N5O — CID 47014537

IUPACN-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)ccc21
InChIInChI=1S/C15H13Cl2N5O/c1-2-22-13-4-3-8(5-12(13)20-21-22)15(23)19-9-6-10(16)14(18)11(17)7-9/h3-7H,2,18H2,1H3,(H,19,23)
InChIKeyVZJYHWQYHXHNOK-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.59
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide

N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide (PubChem CID 47014537) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
PubChem CID47014537
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)ccc21
InChIInChI=1S/C15H13Cl2N5O/c1-2-22-13-4-3-8(5-12(13)20-21-22)15(23)19-9-6-10(16)14(18)11(17)7-9/h3-7H,2,18H2,1H3,(H,19,23)
InChIKeyVZJYHWQYHXHNOK-UHFFFAOYSA-N
XLogP3.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51133620
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 26499294
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352
1-ethyl-N-[3-(hydroxymethyl)pentan-3-yl]benzotriazole-5-carboxamide
CID 62520841

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide (CID 47014537) is N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)ccc21.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is VZJYHWQYHXHNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-2-22-13-4-3-8(5-12(13)20-21-22)15(23)19-9-6-10(16)14(18)11(17)7-9/h3-7H,2,18H2,1H3,(H,19,23).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 47014537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).