trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide

C20H15Cl2NO — CID 96564578

IUPACtrans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2NO/c21-14-8-13(9-15(22)10-14)17-11-18(17)20(24)23-19-7-3-5-12-4-1-2-6-16(12)19/h1-10,17-18H,11H2,(H,23,24)/t17-,18+/m0/s1
InChIKeyIQUJIOCKRJIFGF-ZWKOTPCHSA-N
MW356.25 g/mol
LogP5.89
Rot. Bonds3

About trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide (PubChem CID 96564578) has the molecular formula C20H15Cl2NO and a molecular weight of 356.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
PubChem CID96564578
Molecular FormulaC20H15Cl2NO
Molecular Weight356.25 g/mol
Exact Mass355.05
IUPAC Nametrans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2NO/c21-14-8-13(9-15(22)10-14)17-11-18(17)20(24)23-19-7-3-5-12-4-1-2-6-16(12)19/h1-10,17-18H,11H2,(H,23,24)/t17-,18+/m0/s1
InChIKeyIQUJIOCKRJIFGF-ZWKOTPCHSA-N
XLogP5.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.25
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 96564487
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 96564716
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(3-nitrophenyl)cyclopropane-1-carboxamide
CID 96564704
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide (CID 96564578) is trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide is O=C(Nc1cccc2ccccc12)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide?
The InChIKey is IQUJIOCKRJIFGF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H15Cl2NO/c21-14-8-13(9-15(22)10-14)17-11-18(17)20(24)23-19-7-3-5-12-4-1-2-6-16(12)19/h1-10,17-18H,11H2,(H,23,24)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 96564578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).