4-[(4-methyl-3-nitrophenyl)methylamino]benzamide

C15H15N3O3 — CID 43760410

IUPAC4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
SMILESCc1ccc(CNc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-2-3-11(8-14(10)18(20)21)9-17-13-6-4-12(5-7-13)15(16)19/h2-8,17H,9H2,1H3,(H2,16,19)
InChIKeyWWOBOXWKKDPNSB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.61
Rot. Bonds5

About 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide

4-[(4-methyl-3-nitrophenyl)methylamino]benzamide (PubChem CID 43760410) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
PubChem CID43760410
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
SMILESCc1ccc(CNc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-2-3-11(8-14(10)18(20)21)9-17-13-6-4-12(5-7-13)15(16)19/h2-8,17H,9H2,1H3,(H2,16,19)
InChIKeyWWOBOXWKKDPNSB-UHFFFAOYSA-N
XLogP2.61
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

3-[(3-methyl-4-nitroanilino)methyl]benzamide
CID 60969386
ethane;4-methyl-3-nitrobenzamide
CID 143806264
2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide
CID 112673285
4-methyl-N-[(4-methyl-3-nitrophenyl)methyl]-3-methylsulfonylaniline
CID 86785176
N-[(3,4-difluorophenyl)methyl]-4-methyl-3-nitroaniline
CID 43425317
3-N,3-N-dimethyl-1-N-[(4-methyl-3-nitrophenyl)methyl]benzene-1,3-diamine
CID 115376044
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
2-fluoro-5-[(4-methyl-3-nitroanilino)methyl]benzonitrile
CID 107936143
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-3-nitroaniline
CID 81436605
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide?
The IUPAC name of 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide (CID 43760410) is 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide?
The canonical SMILES for 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide is Cc1ccc(CNc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide?
The InChIKey is WWOBOXWKKDPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-2-3-11(8-14(10)18(20)21)9-17-13-6-4-12(5-7-13)15(16)19/h2-8,17H,9H2,1H3,(H2,16,19).
What are the key properties of 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide?
4-[(4-methyl-3-nitrophenyl)methylamino]benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-nitrophenyl)methylamino]benzamide is sourced from PubChem (CID 43760410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).