6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide

C23H27ClN2O4 — CID 10071375

IUPAC6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)N(C(=O)c1cc2cc(Cl)ccc2oc1=O)C1CCCCC1
InChIInChI=1S/C23H27ClN2O4/c24-16-11-12-20-15(13-16)14-19(22(28)30-20)21(27)26(18-9-5-2-6-10-18)23(29)25-17-7-3-1-4-8-17/h11-14,17-18H,1-10H2,(H,25,29)
InChIKeySVWYOJDMPMQILY-UHFFFAOYSA-N
MW430.93 g/mol
LogP5.26
Rot. Bonds3

About 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide

6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide (PubChem CID 10071375) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide
PubChem CID10071375
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)N(C(=O)c1cc2cc(Cl)ccc2oc1=O)C1CCCCC1
InChIInChI=1S/C23H27ClN2O4/c24-16-11-12-20-15(13-16)14-19(22(28)30-20)21(27)26(18-9-5-2-6-10-18)23(29)25-17-7-3-1-4-8-17/h11-14,17-18H,1-10H2,(H,25,29)
InChIKeySVWYOJDMPMQILY-UHFFFAOYSA-N
XLogP5.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,4S)-4-[(6-chloro-2H-chromene-3-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476909
N-[2-(3-chlorophenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
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6-chloro-N-cycloheptyl-2-imino-2H-chromene-3-carboxamide
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3-(1-azocanylcarbonyl)-6-chloro-2H-chromen-2-one
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Coumarin, 6-chloro-4-hydroxy-3-(octylcarbamoyl)-
CID 54688616
(6-chloro-2-oxochromen-3-yl)-N-(2-cyclohex-1-enylethyl)carboxamide
CID 976554
N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide
CID 2809645
6-chloro-N-cyclopropyl-2-oxo-2H-chromene-3-carboxamide
CID 6462691
1,3-Bis[(6-chloro-2-oxochromen-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 172456292
6-chloro-N-cyclohexyl-2-imino-2H-chromene-3-carboxamide
CID 395956
6-chloro-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 4059772
N-benzyl-6-chloro-2-oxo-2H-chromene-3-carboxamide
CID 830967

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide (CID 10071375) is 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide is O=C(NC1CCCCC1)N(C(=O)c1cc2cc(Cl)ccc2oc1=O)C1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
The InChIKey is SVWYOJDMPMQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c24-16-11-12-20-15(13-16)14-19(22(28)30-20)21(27)26(18-9-5-2-6-10-18)23(29)25-17-7-3-1-4-8-17/h11-14,17-18H,1-10H2,(H,25,29).
What are the key properties of 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 10071375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).