N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide

C15H20BrNO2 — CID 106244912

IUPACN-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCC(Br)CCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20BrNO2/c1-19-10-14(16)6-7-17-15(18)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14H,6-10H2,1H3,(H,17,18)
InChIKeyNPUGBBKMOMVUGI-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.32
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106244912) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106244912
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCC(Br)CCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20BrNO2/c1-19-10-14(16)6-7-17-15(18)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14H,6-10H2,1H3,(H,17,18)
InChIKeyNPUGBBKMOMVUGI-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894304
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 114151389
N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide
CID 106245074
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578269

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106244912) is N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide is COCC(Br)CCNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is NPUGBBKMOMVUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-10-14(16)6-7-17-15(18)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14H,6-10H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106244912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).