2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide

C24H22ClNO3 — CID 70026381

IUPAC2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
SMILESCOc1cccc2c1-c1ccc(C(C)(C)C(N)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C24H22ClNO3/c1-24(2,23(26)27)15-10-11-17-18(13-15)22(14-6-4-7-16(25)12-14)29-20-9-5-8-19(28-3)21(17)20/h4-13,22H,1-3H3,(H2,26,27)
InChIKeyDVAZNXGKZKBLCC-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.26
Rot. Bonds4

About 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide

2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide (PubChem CID 70026381) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
PubChem CID70026381
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
SMILESCOc1cccc2c1-c1ccc(C(C)(C)C(N)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C24H22ClNO3/c1-24(2,23(26)27)15-10-11-17-18(13-15)22(14-6-4-7-16(25)12-14)29-20-9-5-8-19(28-3)21(17)20/h4-13,22H,1-3H3,(H2,26,27)
InChIKeyDVAZNXGKZKBLCC-UHFFFAOYSA-N
XLogP5.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026589
2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70028281
1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
CID 18189209
2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
CID 18189280
3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]benzoic acid
CID 18189442
N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide
CID 18188655
1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026573
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline
CID 18189263
2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
CID 18188977
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
CID 10297219
ethyl 5-[3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpentanoate
CID 18503961

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
The IUPAC name of 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide (CID 70026381) is 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
The canonical SMILES for 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide is COc1cccc2c1-c1ccc(C(C)(C)C(N)=O)cc1C(c1cccc(Cl)c1)O2.
What is the InChIKey of 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
The InChIKey is DVAZNXGKZKBLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-24(2,23(26)27)15-10-11-17-18(13-15)22(14-6-4-7-16(25)12-14)29-20-9-5-8-19(28-3)21(17)20/h4-13,22H,1-3H3,(H2,26,27).
What are the key properties of 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide has a molecular weight of 407.90 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide is sourced from PubChem (CID 70026381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).