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

C16H20BrNO2 — CID 114309203

IUPACN-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCC(Br)CC1)C1COc2ccccc2C1
InChIInChI=1S/C16H20BrNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-4,12-14H,5-10H2,(H,18,19)
InChIKeyDTOHGBUXRUMQHH-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.06
Rot. Bonds2

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

N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 114309203) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID114309203
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCC(Br)CC1)C1COc2ccccc2C1
InChIInChI=1S/C16H20BrNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-4,12-14H,5-10H2,(H,18,19)
InChIKeyDTOHGBUXRUMQHH-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.06
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-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
CID 25461334
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 114309203) is N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCC(Br)CC1)C1COc2ccccc2C1.
What is the InChIKey of N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DTOHGBUXRUMQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-4,12-14H,5-10H2,(H,18,19).
What are the key properties of N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 114309203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).