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

C15H19BrClNO — CID 23550321

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CC(C)(Cl)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrClNO/c1-10(11-4-6-12(16)7-5-11)18-13(19)14(2)8-15(3,17)9-14/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-,14?,15?/m1/s1
InChIKeyXSURZDBTSSWRFF-SFNBMPIDSA-N
MW344.68 g/mol
LogP4.42
Rot. Bonds3

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

N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide (PubChem CID 23550321) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
PubChem CID23550321
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CC(C)(Cl)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrClNO/c1-10(11-4-6-12(16)7-5-11)18-13(19)14(2)8-15(3,17)9-14/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-,14?,15?/m1/s1
InChIKeyXSURZDBTSSWRFF-SFNBMPIDSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.42
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

N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-(chloromethyl)-1-methylcyclobutane-1-carboxamide
CID 23550322
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550323
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3,3-trichlorocyclobutane-1-carboxamide
CID 54457761
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-dichloro-3-methylcyclobutane-1-carboxamide
CID 76322794
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1-ethyl-3-methylcyclobutane-1-carboxamide
CID 76322795
N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
N-[(1R)-1-(4-bromophenyl)ethyl]-3-hydroxy-1,3-dimethylcyclobutane-1-carboxamide
CID 76308260
N-[(1R)-1-(4-bromophenyl)ethyl]-3-ethyl-3-hydroxy-1-methylcyclobutane-1-carboxamide
CID 76319133
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-methylcyclobutane-1-carboxamide
CID 76329966
(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide
CID 162673441

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide (CID 23550321) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide is C[C@@H](NC(=O)C1(C)CC(C)(Cl)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is XSURZDBTSSWRFF-SFNBMPIDSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-10(11-4-6-12(16)7-5-11)18-13(19)14(2)8-15(3,17)9-14/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 344.68 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 23550321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).