2-amino-N-anthracen-1-ylbenzamide

C21H16N2O — CID 175805968

IUPAC2-amino-N-anthracen-1-ylbenzamide
SMILESNc1ccccc1C(=O)Nc1cccc2cc3ccccc3cc12
InChIInChI=1S/C21H16N2O/c22-19-10-4-3-9-17(19)21(24)23-20-11-5-8-16-12-14-6-1-2-7-15(14)13-18(16)20/h1-13H,22H2,(H,23,24)
InChIKeyKDVGCCXNODZOJT-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.83
Rot. Bonds2

About 2-amino-N-anthracen-1-ylbenzamide

2-amino-N-anthracen-1-ylbenzamide (PubChem CID 175805968) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-N-anthracen-1-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-anthracen-1-ylbenzamide
PubChem CID175805968
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-amino-N-anthracen-1-ylbenzamide
SMILESNc1ccccc1C(=O)Nc1cccc2cc3ccccc3cc12
InChIInChI=1S/C21H16N2O/c22-19-10-4-3-9-17(19)21(24)23-20-11-5-8-16-12-14-6-1-2-7-15(14)13-18(16)20/h1-13H,22H2,(H,23,24)
InChIKeyKDVGCCXNODZOJT-UHFFFAOYSA-N
XLogP4.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
CID 61209348
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
CID 5247000
2-amino-N-(1-benzothiophen-2-yl)benzamide
CID 147635883
CID 6395404
CID 6395404
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-anthracen-1-ylbenzamide?
The IUPAC name of 2-amino-N-anthracen-1-ylbenzamide (CID 175805968) is 2-amino-N-anthracen-1-ylbenzamide.
What is the SMILES notation for 2-amino-N-anthracen-1-ylbenzamide?
The canonical SMILES for 2-amino-N-anthracen-1-ylbenzamide is Nc1ccccc1C(=O)Nc1cccc2cc3ccccc3cc12.
What is the InChIKey of 2-amino-N-anthracen-1-ylbenzamide?
The InChIKey is KDVGCCXNODZOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c22-19-10-4-3-9-17(19)21(24)23-20-11-5-8-16-12-14-6-1-2-7-15(14)13-18(16)20/h1-13H,22H2,(H,23,24).
What are the key properties of 2-amino-N-anthracen-1-ylbenzamide?
2-amino-N-anthracen-1-ylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-anthracen-1-ylbenzamide is sourced from PubChem (CID 175805968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).