N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C19H13Cl2NO — CID 803772

IUPACN-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H13Cl2NO/c20-13-8-14(21)10-15(9-13)22-19(23)17-7-6-12-5-4-11-2-1-3-16(17)18(11)12/h1-3,6-10H,4-5H2,(H,22,23)
InChIKeyPTCFRWCLTSCKER-UHFFFAOYSA-N
MW342.23 g/mol
LogP5.50
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 803772) has the molecular formula C19H13Cl2NO and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID803772
Molecular FormulaC19H13Cl2NO
Molecular Weight342.23 g/mol
Exact Mass341.04
IUPAC NameN-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H13Cl2NO/c20-13-8-14(21)10-15(9-13)22-19(23)17-7-6-12-5-4-11-2-1-3-16(17)18(11)12/h1-3,6-10H,4-5H2,(H,22,23)
InChIKeyPTCFRWCLTSCKER-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2,4-dichlorophenyl)naphthalene-2-carboxamide
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1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide
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1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide
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N-(2-chlorophenyl)-9-oxofluorene-1-carboxamide
CID 11530079
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 19608536
N-(2-chlorophenyl)-2-naphthamide
CID 832568
N-(3,4-Dichlorophenyl)-1-naphthamide
CID 835340
N-(2,4-dichlorophenyl)-4-phenylbenzamide
CID 1590813
3-(3,5-dichloroanilino)-2-phenyl-1H-inden-1-one
CID 4280343

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 803772) is N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is PTCFRWCLTSCKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO/c20-13-8-14(21)10-15(9-13)22-19(23)17-7-6-12-5-4-11-2-1-3-16(17)18(11)12/h1-3,6-10H,4-5H2,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 803772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).