2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

C14H19N3O3 — CID 102977042

IUPAC2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)14(5-6-14)8-16-13(18)11-7-10(17(19)20)3-4-12(11)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyLRTIXMQGMWORTB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (PubChem CID 102977042) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
PubChem CID102977042
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)14(5-6-14)8-16-13(18)11-7-10(17(19)20)3-4-12(11)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyLRTIXMQGMWORTB-UHFFFAOYSA-N
XLogP2.34
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742455
2-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 106547537
2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-5-nitrobenzamide
CID 102977008
4-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742462
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742620
2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
CID 103464488
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (CID 102977042) is 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is CC(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1.
What is the InChIKey of 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is LRTIXMQGMWORTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)14(5-6-14)8-16-13(18)11-7-10(17(19)20)3-4-12(11)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 277.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 102977042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).