N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide

C9H7ClN4O2 — CID 4916245

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide
SMILESNc1nonc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN4O2/c10-6-3-1-5(2-4-6)9(15)12-8-7(11)13-16-14-8/h1-4H,(H2,11,13)(H,12,14,15)
InChIKeyPFMZRTQDNICBFP-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.56
Rot. Bonds2

About N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide (PubChem CID 4916245) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide
PubChem CID4916245
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide
SMILESNc1nonc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN4O2/c10-6-3-1-5(2-4-6)9(15)12-8-7(11)13-16-14-8/h1-4H,(H2,11,13)(H,12,14,15)
InChIKeyPFMZRTQDNICBFP-UHFFFAOYSA-N
XLogP1.56
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea
CID 3811017
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
CID 84614613
4-chloro-N-hydroxybenzamide
CID 587178
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide
CID 166434479
N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide
CID 149149167
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide (CID 4916245) is N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide is Nc1nonc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide?
The InChIKey is PFMZRTQDNICBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-6-3-1-5(2-4-6)9(15)12-8-7(11)13-16-14-8/h1-4H,(H2,11,13)(H,12,14,15).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide has a molecular weight of 238.63 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide is sourced from PubChem (CID 4916245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).