N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

C20H24Cl3NO2 — CID 19118828

IUPACN-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C20H24Cl3NO2/c1-20(2)16(10-17(22)23)18(20)19(25)24(12-15-4-3-9-26-15)11-13-5-7-14(21)8-6-13/h5-8,10,15-16,18H,3-4,9,11-12H2,1-2H3
InChIKeyOPASDQNWSYPLRO-UHFFFAOYSA-N
MW416.78 g/mol
LogP5.44
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 19118828) has the molecular formula C20H24Cl3NO2 and a molecular weight of 416.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID19118828
Molecular FormulaC20H24Cl3NO2
Molecular Weight416.78 g/mol
Exact Mass415.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C20H24Cl3NO2/c1-20(2)16(10-17(22)23)18(20)19(25)24(12-15-4-3-9-26-15)11-13-5-7-14(21)8-6-13/h5-8,10,15-16,18H,3-4,9,11-12H2,1-2H3
InChIKeyOPASDQNWSYPLRO-UHFFFAOYSA-N
XLogP5.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572104
1-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807207
1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807210
2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19119997
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120075
2-(2-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 56229344
9-(4-Chloro-3-fluorobenzyl)-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706325
9-[(4-chloro-3-fluorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121875
9-[(4-chloro-3-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121876
4-chloro-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)benzamide
CID 45224635
7-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-4,4-dimethyl-1-oxa-7-azaspiro[4,4]nonane
CID 66662155
1-(4-chlorobenzyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 3148913

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (CID 19118828) is N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1ccc(Cl)cc1)CC1CCCO1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is OPASDQNWSYPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl3NO2/c1-20(2)16(10-17(22)23)18(20)19(25)24(12-15-4-3-9-26-15)11-13-5-7-14(21)8-6-13/h5-8,10,15-16,18H,3-4,9,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 416.78 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 19118828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).