5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide

C18H20N2O3 — CID 23768234

IUPAC5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)o1
InChIInChI=1S/C18H20N2O3/c19-17(21)16-11-10-15(23-16)12-6-8-14(9-7-12)20-18(22)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,19,21)(H,20,22)
InChIKeyUPYZJMJEMCUYSB-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.56
Rot. Bonds4

About 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide

5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide (PubChem CID 23768234) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
PubChem CID23768234
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)o1
InChIInChI=1S/C18H20N2O3/c19-17(21)16-11-10-15(23-16)12-6-8-14(9-7-12)20-18(22)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,19,21)(H,20,22)
InChIKeyUPYZJMJEMCUYSB-UHFFFAOYSA-N
XLogP3.56
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
CID 69466458
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
CID 82368563
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide (CID 23768234) is 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide is NC(=O)c1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)o1.
What is the InChIKey of 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is UPYZJMJEMCUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-17(21)16-11-10-15(23-16)12-6-8-14(9-7-12)20-18(22)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,19,21)(H,20,22).
What are the key properties of 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 23768234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).