N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H14BrF2NO3 — CID 154963726

IUPACN-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1OC(F)F)C1COc2ccccc2C1
InChIInChI=1S/C17H14BrF2NO3/c18-12-5-6-13(15(8-12)24-17(19)20)21-16(22)11-7-10-3-1-2-4-14(10)23-9-11/h1-6,8,11,17H,7,9H2,(H,21,22)
InChIKeyLDVWMFACWLNRPE-UHFFFAOYSA-N
MW398.20 g/mol
LogP4.24
Rot. Bonds4

About N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 154963726) has the molecular formula C17H14BrF2NO3 and a molecular weight of 398.20 g/mol. Its IUPAC name is N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID154963726
Molecular FormulaC17H14BrF2NO3
Molecular Weight398.20 g/mol
Exact Mass397.01
IUPAC NameN-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1OC(F)F)C1COc2ccccc2C1
InChIInChI=1S/C17H14BrF2NO3/c18-12-5-6-13(15(8-12)24-17(19)20)21-16(22)11-7-10-3-1-2-4-14(10)23-9-11/h1-6,8,11,17H,7,9H2,(H,21,22)
InChIKeyLDVWMFACWLNRPE-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713276
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117075293
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-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 154963726) is N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(Br)cc1OC(F)F)C1COc2ccccc2C1.
What is the InChIKey of N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LDVWMFACWLNRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO3/c18-12-5-6-13(15(8-12)24-17(19)20)21-16(22)11-7-10-3-1-2-4-14(10)23-9-11/h1-6,8,11,17H,7,9H2,(H,21,22).
What are the key properties of N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 398.20 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 154963726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).