2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H14BrClFNO — CID 114713681

IUPAC2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Cl)c(Br)c2)Oc2cc(F)ccc21
InChIInChI=1S/C16H14BrClFNO/c1-20-14-8-15(9-2-5-13(18)12(17)6-9)21-16-7-10(19)3-4-11(14)16/h2-7,14-15,20H,8H2,1H3
InChIKeyCZOATACRWBSAFG-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.03
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713681) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713681
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Cl)c(Br)c2)Oc2cc(F)ccc21
InChIInChI=1S/C16H14BrClFNO/c1-20-14-8-15(9-2-5-13(18)12(17)6-9)21-16-7-10(19)3-4-11(14)16/h2-7,14-15,20H,8H2,1H3
InChIKeyCZOATACRWBSAFG-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
2-(3-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 105404416
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710478
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114713681) is 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(Cl)c(Br)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CZOATACRWBSAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-20-14-8-15(9-2-5-13(18)12(17)6-9)21-16-7-10(19)3-4-11(14)16/h2-7,14-15,20H,8H2,1H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 370.65 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).