2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide

C15H19N3O3 — CID 99775382

IUPAC2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide
SMILESC[C@@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC1
InChIInChI=1S/C15H19N3O3/c1-9(10-5-6-10)17(11-7-8-11)15(19)12-3-2-4-13(14(12)16)18(20)21/h2-4,9-11H,5-8,16H2,1H3/t9-/m0/s1
InChIKeyNEBKGVCTPRXIMT-VIFPVBQESA-N
MW289.33 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide

2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide (PubChem CID 99775382) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide
PubChem CID99775382
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide
SMILESC[C@@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC1
InChIInChI=1S/C15H19N3O3/c1-9(10-5-6-10)17(11-7-8-11)15(19)12-3-2-4-13(14(12)16)18(20)21/h2-4,9-11H,5-8,16H2,1H3/t9-/m0/s1
InChIKeyNEBKGVCTPRXIMT-VIFPVBQESA-N
XLogP2.58
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
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

2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea
CID 51961740
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
CID 4522146
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936543
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
2-amino-N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 71852591
2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 115878724
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
CID 103191098
2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122979

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide (CID 99775382) is 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide is C[C@@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide?
The InChIKey is NEBKGVCTPRXIMT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(10-5-6-10)17(11-7-8-11)15(19)12-3-2-4-13(14(12)16)18(20)21/h2-4,9-11H,5-8,16H2,1H3/t9-/m0/s1.
What are the key properties of 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide?
2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide has a molecular weight of 289.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide is sourced from PubChem (CID 99775382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).