(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone

C13H7ClF3NO — CID 103304702

IUPAC(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESNc1cccc(C(=O)c2cc(F)c(F)cc2F)c1Cl
InChIInChI=1S/C13H7ClF3NO/c14-12-6(2-1-3-11(12)18)13(19)7-4-9(16)10(17)5-8(7)15/h1-5H,18H2
InChIKeyRRNSXLYVXZICKV-UHFFFAOYSA-N
MW285.65 g/mol
LogP3.57
Rot. Bonds2

About (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone

(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103304702) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103304702
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESNc1cccc(C(=O)c2cc(F)c(F)cc2F)c1Cl
InChIInChI=1S/C13H7ClF3NO/c14-12-6(2-1-3-11(12)18)13(19)7-4-9(16)10(17)5-8(7)15/h1-5H,18H2
InChIKeyRRNSXLYVXZICKV-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(3-amino-2-chlorophenyl)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 115937333
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone (CID 103304702) is (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone is Nc1cccc(C(=O)c2cc(F)c(F)cc2F)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is RRNSXLYVXZICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-12-6(2-1-3-11(12)18)13(19)7-4-9(16)10(17)5-8(7)15/h1-5H,18H2.
What are the key properties of (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone?
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 285.65 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103304702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).