4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide

C15H15N3O3 — CID 43708480

IUPAC4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(CN)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-13(3-2-4-14(10)18(20)21)17-15(19)12-7-5-11(9-16)6-8-12/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyFIWWNKMZTVBUGN-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.61
Rot. Bonds4

About 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide

4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 43708480) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID43708480
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(CN)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-13(3-2-4-14(10)18(20)21)17-15(19)12-7-5-11(9-16)6-8-12/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyFIWWNKMZTVBUGN-UHFFFAOYSA-N
XLogP2.61
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.61
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

4-(ethylsulfanylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60528428
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
CID 9395656
4-(2-cyclopropylethynyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 58111637
(2-methyl-3-nitrophenyl)urea
CID 22416531
4-(3-methylbutoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 4948152
4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 17112581
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 26796676

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide (CID 43708480) is 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccc(CN)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is FIWWNKMZTVBUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-13(3-2-4-14(10)18(20)21)17-15(19)12-7-5-11(9-16)6-8-12/h2-8H,9,16H2,1H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide?
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 43708480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).