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

C16H14BrNO2 — CID 22578129

IUPACN-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1COc2ccccc2C1
InChIInChI=1S/C16H14BrNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-8,12H,9-10H2,(H,18,19)
InChIKeyWQNWHLYOQGTTSD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.64
Rot. Bonds2

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

N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578129) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578129
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1COc2ccccc2C1
InChIInChI=1S/C16H14BrNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-8,12H,9-10H2,(H,18,19)
InChIKeyWQNWHLYOQGTTSD-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041091

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578129) is N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WQNWHLYOQGTTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-8,12H,9-10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).