N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide

C18H18N2O3 — CID 4522146

IUPACN-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
SMILESCC(C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(14-11-12-14)19(15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)20(22)23/h2-10,13-14H,11-12H2,1H3
InChIKeyLDYOYHATFGPLPR-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.04
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide

N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide (PubChem CID 4522146) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
PubChem CID4522146
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
SMILESCC(C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(14-11-12-14)19(15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)20(22)23/h2-10,13-14H,11-12H2,1H3
InChIKeyLDYOYHATFGPLPR-UHFFFAOYSA-N
XLogP4.04
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936543
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
1-[(1S)-1-cyclopropylethyl]-3-(3-nitrophenyl)-1-phenylurea
CID 786334
2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide
CID 99775382
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
methyl-N-[(2S)-1-(N-(2-nitrobenzoyl)anilino)-1-oxopropan-2-yl]boronamidic acid
CID 58056422
1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
CID 71867771
2-[1-(2-nitrobenzoyl)azetidin-3-yl]propanoic acid
CID 116681091
benzene;2-nitrobenzoic acid
CID 19891435
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide (CID 4522146) is N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide is CC(C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide?
The InChIKey is LDYOYHATFGPLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(14-11-12-14)19(15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)20(22)23/h2-10,13-14H,11-12H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide?
N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide has a molecular weight of 310.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide is sourced from PubChem (CID 4522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).