4-(aminomethyl)-N-(4-nitrophenyl)benzamide

C14H13N3O3 — CID 43426870

IUPAC4-(aminomethyl)-N-(4-nitrophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O3/c15-9-10-1-3-11(4-2-10)14(18)16-12-5-7-13(8-6-12)17(19)20/h1-8H,9,15H2,(H,16,18)
InChIKeyIVLRNCMOQGWURN-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.31
Rot. Bonds4

About 4-(aminomethyl)-N-(4-nitrophenyl)benzamide

4-(aminomethyl)-N-(4-nitrophenyl)benzamide (PubChem CID 43426870) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-nitrophenyl)benzamide
PubChem CID43426870
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-(aminomethyl)-N-(4-nitrophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O3/c15-9-10-1-3-11(4-2-10)14(18)16-12-5-7-13(8-6-12)17(19)20/h1-8H,9,15H2,(H,16,18)
InChIKeyIVLRNCMOQGWURN-UHFFFAOYSA-N
XLogP2.31
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-(aminomethyl)-N-(2-bromo-4-nitrophenyl)benzamide
CID 43710479
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-nitrophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-nitrophenyl)benzamide (CID 43426870) is 4-(aminomethyl)-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-nitrophenyl)benzamide is NCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-nitrophenyl)benzamide?
The InChIKey is IVLRNCMOQGWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-9-10-1-3-11(4-2-10)14(18)16-12-5-7-13(8-6-12)17(19)20/h1-8H,9,15H2,(H,16,18).
What are the key properties of 4-(aminomethyl)-N-(4-nitrophenyl)benzamide?
4-(aminomethyl)-N-(4-nitrophenyl)benzamide has a molecular weight of 271.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 43426870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).