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

C16H13BrClNO2 — CID 81028513

IUPACN-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)C1COc2ccccc2C1
InChIInChI=1S/C16H13BrClNO2/c17-13-8-12(18)5-6-14(13)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-6,8,11H,7,9H2,(H,19,20)
InChIKeyOEMTYVLBLRWALJ-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.29
Rot. Bonds2

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

N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 81028513) has the molecular formula C16H13BrClNO2 and a molecular weight of 366.64 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID81028513
Molecular FormulaC16H13BrClNO2
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC NameN-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)C1COc2ccccc2C1
InChIInChI=1S/C16H13BrClNO2/c17-13-8-12(18)5-6-14(13)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-6,8,11H,7,9H2,(H,19,20)
InChIKeyOEMTYVLBLRWALJ-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
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
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-(4-chloro-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 115627234
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-[4-bromo-2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 154963726
(3S)-N-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9244994
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 81028513) is N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(Cl)cc1Br)C1COc2ccccc2C1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OEMTYVLBLRWALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO2/c17-13-8-12(18)5-6-14(13)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-6,8,11H,7,9H2,(H,19,20).
What are the key properties of N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 366.64 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 81028513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).