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

C16H18BrNO3 — CID 103280040

IUPAC6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C16H18BrNO3/c17-13-2-4-15-11(7-13)6-12(9-21-15)16(20)18-8-10-1-3-14(19)5-10/h2,4,6-7,10,14,19H,1,3,5,8-9H2,(H,18,20)
InChIKeyVPHVMNGHJMPYEQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.50
Rot. Bonds3

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

6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide (PubChem CID 103280040) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
PubChem CID103280040
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C16H18BrNO3/c17-13-2-4-15-11(7-13)6-12(9-21-15)16(20)18-8-10-1-3-14(19)5-10/h2,4,6-7,10,14,19H,1,3,5,8-9H2,(H,18,20)
InChIKeyVPHVMNGHJMPYEQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2H-chromene-3-carboxamide
CID 103801126
6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
CID 78957328
(2S)-4-[(6-bromo-2H-chromene-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834199
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
(6-bromo-2H-chromen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029938
2-[(6-bromo-2H-chromene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357667
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide
CID 22578541
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
6-bromo-N-(1-hydroxypropan-2-yl)-N-methyl-2H-chromene-3-carboxamide
CID 112548223

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide (CID 103280040) is 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide is O=C(NCC1CCC(O)C1)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is VPHVMNGHJMPYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c17-13-2-4-15-11(7-13)6-12(9-21-15)16(20)18-8-10-1-3-14(19)5-10/h2,4,6-7,10,14,19H,1,3,5,8-9H2,(H,18,20).
What are the key properties of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide?
6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 103280040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).