(2,4-diamino-3-benzoylphenyl)-phenylmethanone

C20H16N2O2 — CID 70481575

IUPAC(2,4-diamino-3-benzoylphenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)c(N)c1C(=O)c1ccccc1
InChIInChI=1S/C20H16N2O2/c21-16-12-11-15(19(23)13-7-3-1-4-8-13)18(22)17(16)20(24)14-9-5-2-6-10-14/h1-12H,21-22H2
InChIKeyXYGKFKUKMPPNRD-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.31
Rot. Bonds4

About (2,4-diamino-3-benzoylphenyl)-phenylmethanone

(2,4-diamino-3-benzoylphenyl)-phenylmethanone (PubChem CID 70481575) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2,4-diamino-3-benzoylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-diamino-3-benzoylphenyl)-phenylmethanone
PubChem CID70481575
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(2,4-diamino-3-benzoylphenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)c(N)c1C(=O)c1ccccc1
InChIInChI=1S/C20H16N2O2/c21-16-12-11-15(19(23)13-7-3-1-4-8-13)18(22)17(16)20(24)14-9-5-2-6-10-14/h1-12H,21-22H2
InChIKeyXYGKFKUKMPPNRD-UHFFFAOYSA-N
XLogP3.31
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-phenylmethanone
CID 158207972
(4-amino-2,3-diphenylphenyl)-phenylmethanone
CID 70223924
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(3,6-diamino-2-benzylphenyl)-phenylmethanone
CID 154320576
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
CID 70538828
(2-amino-9H-carbazol-1-yl)-phenylmethanone
CID 154352677
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
diphenylmethanone
CID 3102
3,4-dibenzoylphthalic acid
CID 22269446
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(2-amino-3-benzoylphenyl) thiohypobromite
CID 155200120

Frequently Asked Questions

What is the IUPAC name of (2,4-diamino-3-benzoylphenyl)-phenylmethanone?
The IUPAC name of (2,4-diamino-3-benzoylphenyl)-phenylmethanone (CID 70481575) is (2,4-diamino-3-benzoylphenyl)-phenylmethanone.
What is the SMILES notation for (2,4-diamino-3-benzoylphenyl)-phenylmethanone?
The canonical SMILES for (2,4-diamino-3-benzoylphenyl)-phenylmethanone is Nc1ccc(C(=O)c2ccccc2)c(N)c1C(=O)c1ccccc1.
What is the InChIKey of (2,4-diamino-3-benzoylphenyl)-phenylmethanone?
The InChIKey is XYGKFKUKMPPNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c21-16-12-11-15(19(23)13-7-3-1-4-8-13)18(22)17(16)20(24)14-9-5-2-6-10-14/h1-12H,21-22H2.
What are the key properties of (2,4-diamino-3-benzoylphenyl)-phenylmethanone?
(2,4-diamino-3-benzoylphenyl)-phenylmethanone has a molecular weight of 316.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diamino-3-benzoylphenyl)-phenylmethanone is sourced from PubChem (CID 70481575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).