(4-aminophenyl)-phenylmethanone

C13H11NO — CID 14346

IUPAC(4-aminophenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKeyRBKHNGHPZZZJCI-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.50
Rot. Bonds2

About (4-aminophenyl)-phenylmethanone

(4-aminophenyl)-phenylmethanone (PubChem CID 14346) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (4-aminophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-aminophenyl)-phenylmethanone
PubChem CID14346
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(4-aminophenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKeyRBKHNGHPZZZJCI-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone;4-fluoroaniline
CID 174706224
diphenylmethanone
CID 3102
aniline;bis(4-sulfanylphenyl)methanone
CID 18508820
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone
CID 167533534
(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone
CID 19939681

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-phenylmethanone?
The IUPAC name of (4-aminophenyl)-phenylmethanone (CID 14346) is (4-aminophenyl)-phenylmethanone.
What is the SMILES notation for (4-aminophenyl)-phenylmethanone?
The canonical SMILES for (4-aminophenyl)-phenylmethanone is Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-aminophenyl)-phenylmethanone?
The InChIKey is RBKHNGHPZZZJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2.
What are the key properties of (4-aminophenyl)-phenylmethanone?
(4-aminophenyl)-phenylmethanone has a molecular weight of 197.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-phenylmethanone is sourced from PubChem (CID 14346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).