7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one

C17H11ClF3NO2 — CID 155402408

IUPAC7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2cc(NCc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C17H11ClF3NO2/c18-11-3-1-10(2-4-11)9-22-12-5-6-13-14(23)8-16(17(19,20)21)24-15(13)7-12/h1-8,22H,9H2
InChIKeyXDNQYPYTCSFQHJ-UHFFFAOYSA-N
MW353.73 g/mol
LogP5.08
Rot. Bonds3

About 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one

7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one (PubChem CID 155402408) has the molecular formula C17H11ClF3NO2 and a molecular weight of 353.73 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one
PubChem CID155402408
Molecular FormulaC17H11ClF3NO2
Molecular Weight353.73 g/mol
Exact Mass353.04
IUPAC Name7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2cc(NCc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C17H11ClF3NO2/c18-11-3-1-10(2-4-11)9-22-12-5-6-13-14(23)8-16(17(19,20)21)24-15(13)7-12/h1-8,22H,9H2
InChIKeyXDNQYPYTCSFQHJ-UHFFFAOYSA-N
XLogP5.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.73
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one
CID 146018555
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CID 2966855
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CID 10826534
6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 123394161
7-(2-bromoethylamino)-4-(trifluoromethyl)chromen-2-one
CID 101175054
N-[(4-chlorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43232414
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601
N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250109
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
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5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one (CID 155402408) is 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one is O=c1cc(C(F)(F)F)oc2cc(NCc3ccc(Cl)cc3)ccc12.
What is the InChIKey of 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one?
The InChIKey is XDNQYPYTCSFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO2/c18-11-3-1-10(2-4-11)9-22-12-5-6-13-14(23)8-16(17(19,20)21)24-15(13)7-12/h1-8,22H,9H2.
What are the key properties of 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one?
7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one has a molecular weight of 353.73 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methylamino]-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 155402408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).