N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide

C24H18ClF2NO3 — CID 18504065

IUPACN-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2)C1CC1
InChIInChI=1S/C24H18ClF2NO3/c25-15-4-1-3-14(11-15)22-18-12-16(28-23(29)13-7-8-13)9-10-17(18)21-19(30-22)5-2-6-20(21)31-24(26)27/h1-6,9-13,22,24H,7-8H2,(H,28,29)
InChIKeyWQCAAQGCITYHHQ-UHFFFAOYSA-N
MW441.86 g/mol
LogP6.44
Rot. Bonds5

About N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide

N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide (PubChem CID 18504065) has the molecular formula C24H18ClF2NO3 and a molecular weight of 441.86 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide
PubChem CID18504065
Molecular FormulaC24H18ClF2NO3
Molecular Weight441.86 g/mol
Exact Mass441.09
IUPAC NameN-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2)C1CC1
InChIInChI=1S/C24H18ClF2NO3/c25-15-4-1-3-14(11-15)22-18-12-16(28-23(29)13-7-8-13)9-10-17(18)21-19(30-22)5-2-6-20(21)31-24(26)27/h1-6,9-13,22,24H,7-8H2,(H,28,29)
InChIKeyWQCAAQGCITYHHQ-UHFFFAOYSA-N
XLogP6.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.86
LogP ≤ 56.44
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
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70027760
3-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70025991
1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025995
3-[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 18189426
N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10275194
N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide
CID 18188655
2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
CID 18188977
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026566
N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10140990
3-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoic acid
CID 18188913

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide (CID 18504065) is N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide is O=C(Nc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2)C1CC1.
What is the InChIKey of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide?
The InChIKey is WQCAAQGCITYHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2NO3/c25-15-4-1-3-14(11-15)22-18-12-16(28-23(29)13-7-8-13)9-10-17(18)21-19(30-22)5-2-6-20(21)31-24(26)27/h1-6,9-13,22,24H,7-8H2,(H,28,29).
What are the key properties of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide?
N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide has a molecular weight of 441.86 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide is sourced from PubChem (CID 18504065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).