4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide

C17H15BrN2O3 — CID 30389994

IUPAC4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15BrN2O3/c18-14-7-6-12(10-15(14)20(22)23)16(21)19-11-17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,21)
InChIKeyIJOPXKRZNZKCCJ-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.82
Rot. Bonds5

About 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide

4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 30389994) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID30389994
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15BrN2O3/c18-14-7-6-12(10-15(14)20(22)23)16(21)19-11-17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,21)
InChIKeyIJOPXKRZNZKCCJ-UHFFFAOYSA-N
XLogP3.82
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
4-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742462
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741437
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
4-bromo-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163264
6-[(4-bromo-3-nitrobenzoyl)amino]hexanoic acid
CID 43238430
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-bromo-N-(2-cyanoethyl)-3-nitrobenzamide
CID 60659323
4-bromo-3-nitro-N-pentylbenzamide
CID 43215239
4-bromo-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 63226688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 30389994) is 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CC1)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is IJOPXKRZNZKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-14-7-6-12(10-15(14)20(22)23)16(21)19-11-17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,21).
What are the key properties of 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 375.22 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 30389994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).