cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide

C18H17Cl2NO — CID 679853

IUPACcis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H17Cl2NO/c1-18(2)13(10-15(19)20)16(18)17(22)21-14-9-5-7-11-6-3-4-8-12(11)14/h3-10,13,16H,1-2H3,(H,21,22)/t13-,16+/m1/s1
InChIKeyRGRMTRZXDADKBI-CJNGLKHVSA-N
MW334.25 g/mol
LogP5.37
Rot. Bonds3

About cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide

cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide (PubChem CID 679853) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
PubChem CID679853
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Namecis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H17Cl2NO/c1-18(2)13(10-15(19)20)16(18)17(22)21-14-9-5-7-11-6-3-4-8-12(11)14/h3-10,13,16H,1-2H3,(H,21,22)/t13-,16+/m1/s1
InChIKeyRGRMTRZXDADKBI-CJNGLKHVSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 677652
2-[[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-naphthalen-1-ylcarbamate
CID 2249290
2-[[(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-naphthalen-1-ylcarbamate
CID 2249292
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 3571392
2-[[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 6920406
4-[[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 7453301
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]cyclopropane-1-carboxamide
CID 7329409
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide (CID 679853) is cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide is CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide?
The InChIKey is RGRMTRZXDADKBI-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-18(2)13(10-15(19)20)16(18)17(22)21-14-9-5-7-11-6-3-4-8-12(11)14/h3-10,13,16H,1-2H3,(H,21,22)/t13-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide?
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide has a molecular weight of 334.25 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 679853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).