(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

C14H9Cl3FNO — CID 81050839

IUPAC(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(N)c(Cl)c(Cl)c2)c(Cl)cc1F
InChIInChI=1S/C14H9Cl3FNO/c1-6-2-8(9(15)5-11(6)18)14(20)7-3-10(16)13(17)12(19)4-7/h2-5H,19H2,1H3
InChIKeyZKKUSTNLXQKHEI-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.91
Rot. Bonds2

About (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 81050839) has the molecular formula C14H9Cl3FNO and a molecular weight of 332.59 g/mol. Its IUPAC name is (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID81050839
Molecular FormulaC14H9Cl3FNO
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(N)c(Cl)c(Cl)c2)c(Cl)cc1F
InChIInChI=1S/C14H9Cl3FNO/c1-6-2-8(9(15)5-11(6)18)14(20)7-3-10(16)13(17)12(19)4-7/h2-5H,19H2,1H3
InChIKeyZKKUSTNLXQKHEI-UHFFFAOYSA-N
XLogP4.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.91
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

(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
acetic acid;5-amino-2-chloro-4-fluorobenzoic acid;2-chloro-4-fluoro-5-methylbenzoic acid
CID 157068399
(3-aminophenyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917275
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 81050839) is (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2cc(N)c(Cl)c(Cl)c2)c(Cl)cc1F.
What is the InChIKey of (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is ZKKUSTNLXQKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO/c1-6-2-8(9(15)5-11(6)18)14(20)7-3-10(16)13(17)12(19)4-7/h2-5H,19H2,1H3.
What are the key properties of (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 332.59 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 81050839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).