N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide

C19H23ClN2O2 — CID 141090454

IUPACN-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide
SMILESCN(C)C1CCC(C(=O)N(c2ccc(Cl)cc2)c2ccoc2)CC1
InChIInChI=1S/C19H23ClN2O2/c1-21(2)16-7-3-14(4-8-16)19(23)22(18-11-12-24-13-18)17-9-5-15(20)6-10-17/h5-6,9-14,16H,3-4,7-8H2,1-2H3
InChIKeyQULVDNPPCQTLLT-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.72
Rot. Bonds4

About N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide

N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide (PubChem CID 141090454) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide
PubChem CID141090454
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide
SMILESCN(C)C1CCC(C(=O)N(c2ccc(Cl)cc2)c2ccoc2)CC1
InChIInChI=1S/C19H23ClN2O2/c1-21(2)16-7-3-14(4-8-16)19(23)22(18-11-12-24-13-18)17-9-5-15(20)6-10-17/h5-6,9-14,16H,3-4,7-8H2,1-2H3
InChIKeyQULVDNPPCQTLLT-UHFFFAOYSA-N
XLogP4.72
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide (CID 141090454) is N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide is CN(C)C1CCC(C(=O)N(c2ccc(Cl)cc2)c2ccoc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is QULVDNPPCQTLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-21(2)16-7-3-14(4-8-16)19(23)22(18-11-12-24-13-18)17-9-5-15(20)6-10-17/h5-6,9-14,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide?
N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 141090454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).