N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H24BrNO2 — CID 106288162

IUPACN-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H24BrNO2/c1-3-12(4-2)15(18)10-19-17(20)14-9-13-7-5-6-8-16(13)21-11-14/h5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyNDKHSJQOVJZBMQ-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.55
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 106288162) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID106288162
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H24BrNO2/c1-3-12(4-2)15(18)10-19-17(20)14-9-13-7-5-6-8-16(13)21-11-14/h5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyNDKHSJQOVJZBMQ-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.55
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-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111451003
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041091
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 106288162) is N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide is CCC(CC)C(Br)CNC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NDKHSJQOVJZBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-3-12(4-2)15(18)10-19-17(20)14-9-13-7-5-6-8-16(13)21-11-14/h5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 106288162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).