N-methylacridin-4-amine;N-phenylbenzamide

C27H23N3O — CID 174981104

IUPACN-methylacridin-4-amine;N-phenylbenzamide
SMILESCNc1cccc2cc3ccccc3nc12.O=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2.C13H11NO/c1-15-13-8-4-6-11-9-10-5-2-3-7-12(10)16-14(11)13;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h2-9,15H,1H3;1-10H,(H,14,15)
InChIKeyJHVURZXBKZYGSK-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.37
Rot. Bonds3

About N-methylacridin-4-amine;N-phenylbenzamide

N-methylacridin-4-amine;N-phenylbenzamide (PubChem CID 174981104) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is N-methylacridin-4-amine;N-phenylbenzamide.

Molecular Properties

Compound NameN-methylacridin-4-amine;N-phenylbenzamide
PubChem CID174981104
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC NameN-methylacridin-4-amine;N-phenylbenzamide
SMILESCNc1cccc2cc3ccccc3nc12.O=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2.C13H11NO/c1-15-13-8-4-6-11-9-10-5-2-3-7-12(10)16-14(11)13;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h2-9,15H,1H3;1-10H,(H,14,15)
InChIKeyJHVURZXBKZYGSK-UHFFFAOYSA-N
XLogP6.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-acridin-4-yl-2-cyanoacetamide
CID 168524343
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
3-[5-(methylamino)-1H-pyrrolo[3,2-b]quinolin-2-yl]benzoic acid
CID 169284211
molecular hydrogen;N-phenylbenzamide
CID 145238042
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
N-(3-benzamidophenazin-2-yl)benzamide
CID 3547793
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
3-[8-(methylamino)-1H-pyrrolo[2,3-b]quinolin-2-yl]benzoic acid
CID 169026862
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-quinolin-6-ylbenzamide
CID 833617
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203

Frequently Asked Questions

What is the IUPAC name of N-methylacridin-4-amine;N-phenylbenzamide?
The IUPAC name of N-methylacridin-4-amine;N-phenylbenzamide (CID 174981104) is N-methylacridin-4-amine;N-phenylbenzamide.
What is the SMILES notation for N-methylacridin-4-amine;N-phenylbenzamide?
The canonical SMILES for N-methylacridin-4-amine;N-phenylbenzamide is CNc1cccc2cc3ccccc3nc12.O=C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-methylacridin-4-amine;N-phenylbenzamide?
The InChIKey is JHVURZXBKZYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C13H11NO/c1-15-13-8-4-6-11-9-10-5-2-3-7-12(10)16-14(11)13;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h2-9,15H,1H3;1-10H,(H,14,15).
What are the key properties of N-methylacridin-4-amine;N-phenylbenzamide?
N-methylacridin-4-amine;N-phenylbenzamide has a molecular weight of 405.50 g/mol, XLogP of 6.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacridin-4-amine;N-phenylbenzamide is sourced from PubChem (CID 174981104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).