2-(benzylamino)-N-(4-nitrophenyl)acetamide

C15H15N3O3 — CID 2985655

IUPAC2-(benzylamino)-N-(4-nitrophenyl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c19-15(11-16-10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)18(20)21/h1-9,16H,10-11H2,(H,17,19)
InChIKeyKVTPNOGBONKBOL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.32
Rot. Bonds6

About 2-(benzylamino)-N-(4-nitrophenyl)acetamide

2-(benzylamino)-N-(4-nitrophenyl)acetamide (PubChem CID 2985655) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-nitrophenyl)acetamide
PubChem CID2985655
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(benzylamino)-N-(4-nitrophenyl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c19-15(11-16-10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)18(20)21/h1-9,16H,10-11H2,(H,17,19)
InChIKeyKVTPNOGBONKBOL-UHFFFAOYSA-N
XLogP2.32
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.32
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

2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
2-(benzylamino)-N-(4-iodophenyl)acetamide
CID 2824675
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
4-[[2-(4-nitroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473746
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
CID 3610895
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
CID 81311332
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(4-nitrophenyl)acetamide (CID 2985655) is 2-(benzylamino)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(4-nitrophenyl)acetamide is O=C(CNCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(benzylamino)-N-(4-nitrophenyl)acetamide?
The InChIKey is KVTPNOGBONKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(11-16-10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)18(20)21/h1-9,16H,10-11H2,(H,17,19).
What are the key properties of 2-(benzylamino)-N-(4-nitrophenyl)acetamide?
2-(benzylamino)-N-(4-nitrophenyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2985655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).