5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide

C23H27ClN2O3 — CID 46463865

IUPAC5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C23H27ClN2O3/c24-19-9-5-4-8-18(19)20-10-11-21(29-20)22(27)25-17-12-14-26(15-13-17)23(28)16-6-2-1-3-7-16/h4-5,8-11,16-17H,1-3,6-7,12-15H2,(H,25,27)
InChIKeyFDORDPOFTRTYTD-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.90
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 46463865) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID46463865
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C23H27ClN2O3/c24-19-9-5-4-8-18(19)20-10-11-21(29-20)22(27)25-17-12-14-26(15-13-17)23(28)16-6-2-1-3-7-16/h4-5,8-11,16-17H,1-3,6-7,12-15H2,(H,25,27)
InChIKeyFDORDPOFTRTYTD-UHFFFAOYSA-N
XLogP4.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
ethyl 4-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 18230812
5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide
CID 154819962
5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075065
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide (CID 46463865) is 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is FDORDPOFTRTYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c24-19-9-5-4-8-18(19)20-10-11-21(29-20)22(27)25-17-12-14-26(15-13-17)23(28)16-6-2-1-3-7-16/h4-5,8-11,16-17H,1-3,6-7,12-15H2,(H,25,27).
What are the key properties of 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 46463865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).