6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide

C14H15ClN2O3 — CID 70692433

IUPAC6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC(CC)CO
InChIInChI=1S/C14H15ClN2O3/c1-2-10(7-18)17-14(19)11-6-8-5-9(15)3-4-12(8)20-13(11)16/h3-6,10,16,18H,2,7H2,1H3,(H,17,19)/b16-13-
InChIKeyGRBMRZQTHLIUGR-SSZFMOIBSA-N
MW294.74 g/mol
LogP2.07
Rot. Bonds4

About 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide

6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide (PubChem CID 70692433) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide
PubChem CID70692433
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC(CC)CO
InChIInChI=1S/C14H15ClN2O3/c1-2-10(7-18)17-14(19)11-6-8-5-9(15)3-4-12(8)20-13(11)16/h3-6,10,16,18H,2,7H2,1H3,(H,17,19)/b16-13-
InChIKeyGRBMRZQTHLIUGR-SSZFMOIBSA-N
XLogP2.07
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide (CID 70692433) is 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC(CC)CO.
What is the InChIKey of 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide?
The InChIKey is GRBMRZQTHLIUGR-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-10(7-18)17-14(19)11-6-8-5-9(15)3-4-12(8)20-13(11)16/h3-6,10,16,18H,2,7H2,1H3,(H,17,19)/b16-13-.
What are the key properties of 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide?
6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-hydroxybutan-2-yl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 70692433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).