3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide

C15H18Cl3NO — CID 23550315

IUPAC3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CC(C)(Cl)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3NO/c1-9(11-5-4-10(16)6-12(11)17)19-13(20)14(2)7-15(3,18)8-14/h4-6,9H,7-8H2,1-3H3,(H,19,20)/t9-,14?,15?/m1/s1
InChIKeyHSIXGMQSSKXAAP-WFJJYUMRSA-N
MW334.67 g/mol
LogP4.97
Rot. Bonds3

About 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide

3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide (PubChem CID 23550315) has the molecular formula C15H18Cl3NO and a molecular weight of 334.67 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
PubChem CID23550315
Molecular FormulaC15H18Cl3NO
Molecular Weight334.67 g/mol
Exact Mass333.05
IUPAC Name3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CC(C)(Cl)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3NO/c1-9(11-5-4-10(16)6-12(11)17)19-13(20)14(2)7-15(3,18)8-14/h4-6,9H,7-8H2,1-3H3,(H,19,20)/t9-,14?,15?/m1/s1
InChIKeyHSIXGMQSSKXAAP-WFJJYUMRSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide (CID 23550315) is 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide is C[C@@H](NC(=O)C1(C)CC(C)(Cl)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is HSIXGMQSSKXAAP-WFJJYUMRSA-N. The full InChI is InChI=1S/C15H18Cl3NO/c1-9(11-5-4-10(16)6-12(11)17)19-13(20)14(2)7-15(3,18)8-14/h4-6,9H,7-8H2,1-3H3,(H,19,20)/t9-,14?,15?/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide?
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 334.67 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 23550315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).