N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide

C10H10ClN3O3 — CID 43593870

IUPACN-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
SMILESNC1CC1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c11-5-1-2-9(14(16)17)6(3-5)10(15)13-8-4-7(8)12/h1-3,7-8H,4,12H2,(H,13,15)
InChIKeyYWTQUOKJEPDICS-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.08
Rot. Bonds3

About N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide

N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide (PubChem CID 43593870) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
PubChem CID43593870
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC NameN-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
SMILESNC1CC1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c11-5-1-2-9(14(16)17)6(3-5)10(15)13-8-4-7(8)12/h1-3,7-8H,4,12H2,(H,13,15)
InChIKeyYWTQUOKJEPDICS-UHFFFAOYSA-N
XLogP1.08
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-nitrobenzamide
CID 61040504
5-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-nitrobenzamide
CID 60704660
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
CID 103082421
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 113358036
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide (CID 43593870) is N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide is NC1CC1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide?
The InChIKey is YWTQUOKJEPDICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-5-1-2-9(14(16)17)6(3-5)10(15)13-8-4-7(8)12/h1-3,7-8H,4,12H2,(H,13,15).
What are the key properties of N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide?
N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide has a molecular weight of 255.66 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide is sourced from PubChem (CID 43593870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).