2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide

C24H21F2NO4 — CID 18188977

IUPAC2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
SMILESCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(C(C)C(N)=O)cc32)c1
InChIInChI=1S/C24H21F2NO4/c1-13(23(27)28)14-9-10-17-18(12-14)22(15-5-3-6-16(11-15)29-2)30-19-7-4-8-20(21(17)19)31-24(25)26/h3-13,22,24H,1-2H3,(H2,27,28)
InChIKeyVMFSUYHJYHNLGP-UHFFFAOYSA-N
MW425.43 g/mol
LogP5.03
Rot. Bonds6

About 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide

2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide (PubChem CID 18188977) has the molecular formula C24H21F2NO4 and a molecular weight of 425.43 g/mol. Its IUPAC name is 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide.

Molecular Properties

Compound Name2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
PubChem CID18188977
Molecular FormulaC24H21F2NO4
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC Name2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
SMILESCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(C(C)C(N)=O)cc32)c1
InChIInChI=1S/C24H21F2NO4/c1-13(23(27)28)14-9-10-17-18(12-14)22(15-5-3-6-16(11-15)29-2)30-19-7-4-8-20(21(17)19)31-24(25)26/h3-13,22,24H,1-2H3,(H2,27,28)
InChIKeyVMFSUYHJYHNLGP-UHFFFAOYSA-N
XLogP5.03
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide 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

3-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70025991
N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025909
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
CID 18503955
2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026589
[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189059
[1-(difluoromethoxy)-6-[3-[(E)-4-methoxybut-2-enoxy]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189041
2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline
CID 18189263
3-[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 18189426
[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
CID 18189280
[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188547

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide?
The IUPAC name of 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide (CID 18188977) is 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide.
What is the SMILES notation for 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide?
The canonical SMILES for 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide is COc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(C(C)C(N)=O)cc32)c1.
What is the InChIKey of 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide?
The InChIKey is VMFSUYHJYHNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO4/c1-13(23(27)28)14-9-10-17-18(12-14)22(15-5-3-6-16(11-15)29-2)30-19-7-4-8-20(21(17)19)31-24(25)26/h3-13,22,24H,1-2H3,(H2,27,28).
What are the key properties of 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide?
2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide has a molecular weight of 425.43 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide is sourced from PubChem (CID 18188977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).