4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide

C18H18N2O3 — CID 16601996

IUPAC4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O3/c21-17(14-7-9-16(10-8-14)20(22)23)19-13-18(11-4-12-18)15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2,(H,19,21)
InChIKeyNUVASHJTZYTECJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.45
Rot. Bonds5

About 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide

4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 16601996) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID16601996
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O3/c21-17(14-7-9-16(10-8-14)20(22)23)19-13-18(11-4-12-18)15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2,(H,19,21)
InChIKeyNUVASHJTZYTECJ-UHFFFAOYSA-N
XLogP3.45
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.45
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-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
CID 121178991
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 30389994
2-(4-nitrophenyl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288200
N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride
CID 119404019
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16581101
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 16601996) is 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is NUVASHJTZYTECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(14-7-9-16(10-8-14)20(22)23)19-13-18(11-4-12-18)15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2,(H,19,21).
What are the key properties of 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide?
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 16601996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).