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

C16H15BrN2O2 — CID 79754301

IUPACN-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNc1cc(NC(=O)C2CCOc3ccccc32)ccc1Br
InChIInChI=1S/C16H15BrN2O2/c17-13-6-5-10(9-14(13)18)19-16(20)12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12H,7-8,18H2,(H,19,20)
InChIKeyXZMRJLAADMCLLY-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.54
Rot. Bonds2

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

N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 79754301) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID79754301
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNc1cc(NC(=O)C2CCOc3ccccc32)ccc1Br
InChIInChI=1S/C16H15BrN2O2/c17-13-6-5-10(9-14(13)18)19-16(20)12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12H,7-8,18H2,(H,19,20)
InChIKeyXZMRJLAADMCLLY-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710976
N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 119438483
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
3-[[3-(3,4-dihydro-2H-chromene-4-carbonylamino)phenyl]methylsulfanyl]propanoic acid
CID 119241213
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107334144

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 79754301) is N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide is Nc1cc(NC(=O)C2CCOc3ccccc32)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is XZMRJLAADMCLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-6-5-10(9-14(13)18)19-16(20)12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12H,7-8,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 79754301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).