5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide

C14H19BrN2O3 — CID 7976083

IUPAC5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H19BrN2O3/c1-9-4-2-3-5-10(9)17-13(18)8-16-14(19)11-6-7-12(15)20-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,18)/t9-,10-/m1/s1
InChIKeyXPVKWVBCIWIGJH-NXEZZACHSA-N
MW343.22 g/mol
LogP2.47
Rot. Bonds4

About 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7976083) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID7976083
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H19BrN2O3/c1-9-4-2-3-5-10(9)17-13(18)8-16-14(19)11-6-7-12(15)20-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,18)/t9-,10-/m1/s1
InChIKeyXPVKWVBCIWIGJH-NXEZZACHSA-N
XLogP2.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 98612302
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 11918477
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 11923548
2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868723
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 7976083) is 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XPVKWVBCIWIGJH-NXEZZACHSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9-4-2-3-5-10(9)17-13(18)8-16-14(19)11-6-7-12(15)20-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,18)/t9-,10-/m1/s1.
What are the key properties of 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7976083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).