6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide

C17H13BrClNO2 — CID 22578485

IUPAC6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C17H13BrClNO2/c18-14-4-5-16-12(8-14)7-13(10-22-16)17(21)20-9-11-2-1-3-15(19)6-11/h1-8H,9-10H2,(H,20,21)
InChIKeyGMGIVXKGGZKRPY-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.19
Rot. Bonds3

About 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide

6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide (PubChem CID 22578485) has the molecular formula C17H13BrClNO2 and a molecular weight of 378.65 g/mol. Its IUPAC name is 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
PubChem CID22578485
Molecular FormulaC17H13BrClNO2
Molecular Weight378.65 g/mol
Exact Mass376.98
IUPAC Name6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C17H13BrClNO2/c18-14-4-5-16-12(8-14)7-13(10-22-16)17(21)20-9-11-2-1-3-15(19)6-11/h1-8H,9-10H2,(H,20,21)
InChIKeyGMGIVXKGGZKRPY-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(6-chloro-2H-chromene-3-carbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524707
6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
CID 113227499
(2S)-4-[(6-bromo-2H-chromene-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834199
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
CID 78957328
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2H-chromene-3-carboxamide
CID 64546411
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2H-chromene-3-carboxamide
CID 103801126
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide (CID 22578485) is 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is GMGIVXKGGZKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO2/c18-14-4-5-16-12(8-14)7-13(10-22-16)17(21)20-9-11-2-1-3-15(19)6-11/h1-8H,9-10H2,(H,20,21).
What are the key properties of 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide?
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 378.65 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).