6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide

C14H16ClNO4 — CID 61234889

IUPAC6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N(CCO)CCO
InChIInChI=1S/C14H16ClNO4/c15-12-1-2-13-10(8-12)7-11(9-20-13)14(19)16(3-5-17)4-6-18/h1-2,7-8,17-18H,3-6,9H2
InChIKeyTWTDIEHKQUVLCW-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.93
Rot. Bonds5

About 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide

6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide (PubChem CID 61234889) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
PubChem CID61234889
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N(CCO)CCO
InChIInChI=1S/C14H16ClNO4/c15-12-1-2-13-10(8-12)7-11(9-20-13)14(19)16(3-5-17)4-6-18/h1-2,7-8,17-18H,3-6,9H2
InChIKeyTWTDIEHKQUVLCW-UHFFFAOYSA-N
XLogP0.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
2-[(6-chloro-2H-chromene-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346798
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid
CID 60827378
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2H-chromene-3-carboxamide
CID 154750928
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
(E)-3-(6-chloro-2H-chromen-3-yl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 110886570
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide (CID 61234889) is 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide is O=C(C1=Cc2cc(Cl)ccc2OC1)N(CCO)CCO.
What is the InChIKey of 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide?
The InChIKey is TWTDIEHKQUVLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-12-1-2-13-10(8-12)7-11(9-20-13)14(19)16(3-5-17)4-6-18/h1-2,7-8,17-18H,3-6,9H2.
What are the key properties of 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide?
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 61234889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).