6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide

C19H18BrNO3 — CID 24616218

IUPAC6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C19H18BrNO3/c1-12(16-5-3-4-6-18(16)23-2)21-19(22)14-9-13-10-15(20)7-8-17(13)24-11-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyVPMMVAQRNXTPAB-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.11
Rot. Bonds4

About 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide

6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 24616218) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide
PubChem CID24616218
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C19H18BrNO3/c1-12(16-5-3-4-6-18(16)23-2)21-19(22)14-9-13-10-15(20)7-8-17(13)24-11-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyVPMMVAQRNXTPAB-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide
CID 75181389
2-[(6-bromo-2H-chromene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357667
(E)-2-[(6-bromo-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120694172
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
methyl 7-bromo-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 22990005
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104852020
methyl 2-(2H-chromene-3-carbonylamino)-3-methylbutanoate
CID 75856990
6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
CID 113227499
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46609804
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide (CID 24616218) is 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide is COc1ccccc1C(C)NC(=O)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is VPMMVAQRNXTPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-12(16-5-3-4-6-18(16)23-2)21-19(22)14-9-13-10-15(20)7-8-17(13)24-11-14/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide?
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 24616218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).