(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone

C16H15Cl2NO — CID 116609874

IUPAC(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO/c1-2-4-10-5-3-6-11(7-10)16(20)12-8-13(17)15(19)14(18)9-12/h3,5-9H,2,4,19H2,1H3
InChIKeyVBYXCZCQTYIBNY-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.76
Rot. Bonds4

About (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone

(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone (PubChem CID 116609874) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
PubChem CID116609874
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO/c1-2-4-10-5-3-6-11(7-10)16(20)12-8-13(17)15(19)14(18)9-12/h3,5-9H,2,4,19H2,1H3
InChIKeyVBYXCZCQTYIBNY-UHFFFAOYSA-N
XLogP4.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.76
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

(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
(3,5-dichlorophenyl)-(3-ethylphenyl)methanone
CID 115788788
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
methyl 3-propylbenzoate
CID 12861009
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone (CID 116609874) is (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone?
The InChIKey is VBYXCZCQTYIBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-2-4-10-5-3-6-11(7-10)16(20)12-8-13(17)15(19)14(18)9-12/h3,5-9H,2,4,19H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone?
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone has a molecular weight of 308.21 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116609874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).