N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C16H20BrNO — CID 80672016

IUPACN-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(CC1CC(Br)C1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20BrNO/c1-18(10-11-7-15(17)8-11)16(19)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3
InChIKeyXNZKZPQRHHCWKK-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.42
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 80672016) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID80672016
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(CC1CC(Br)C1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20BrNO/c1-18(10-11-7-15(17)8-11)16(19)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3
InChIKeyXNZKZPQRHHCWKK-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(3-bromocyclobutyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 115354532
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-[(3-bromocyclobutyl)methyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82878533
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 80676384
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 80673655
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
N-[(3-bromocyclobutyl)methyl]-N,2,4,6-tetramethylbenzamide
CID 80672182

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 80672016) is N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(CC1CC(Br)C1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is XNZKZPQRHHCWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-18(10-11-7-15(17)8-11)16(19)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 322.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 80672016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).