[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride

C20H17ClN2O2 — CID 19019928

IUPAC[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)c2cccc(C(=O)c3cccc(N)c3)c2)c1
InChIInChI=1S/C20H16N2O2.ClH/c21-17-8-2-6-15(11-17)19(23)13-4-1-5-14(10-13)20(24)16-7-3-9-18(22)12-16;/h1-12H,21-22H2;1H
InChIKeySNERRCIIQSGJKL-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.73
Rot. Bonds4

About [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride

[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride (PubChem CID 19019928) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
PubChem CID19019928
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)c2cccc(C(=O)c3cccc(N)c3)c2)c1
InChIInChI=1S/C20H16N2O2.ClH/c21-17-8-2-6-15(11-17)19(23)13-4-1-5-14(10-13)20(24)16-7-3-9-18(22)12-16;/h1-12H,21-22H2;1H
InChIKeySNERRCIIQSGJKL-UHFFFAOYSA-N
XLogP3.73
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminobenzoyl)benzoic acid
CID 18974175
(3-aminophenyl)-phenylmethanone
CID 17817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
(3-aminobenzoyl)azanium
CID 142343873
3-aminobenzoic acid;azane
CID 159954068
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
1-(3-aminophenyl)-2,2-dichloroethanone
CID 45081008
(3-aminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
CID 23352814
cesium 3-aminobenzoate
CID 134897140

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride?
The IUPAC name of [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride (CID 19019928) is [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride is Cl.Nc1cccc(C(=O)c2cccc(C(=O)c3cccc(N)c3)c2)c1.
What is the InChIKey of [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride?
The InChIKey is SNERRCIIQSGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2.ClH/c21-17-8-2-6-15(11-17)19(23)13-4-1-5-14(10-13)20(24)16-7-3-9-18(22)12-16;/h1-12H,21-22H2;1H.
What are the key properties of [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride?
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride is sourced from PubChem (CID 19019928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).