(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide

C18H18ClNO2 — CID 40972536

IUPAC(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CC=CCC1
InChIInChI=1S/C18H18ClNO2/c19-15-8-6-13(7-9-15)17-11-10-16(22-17)12-20-18(21)14-4-2-1-3-5-14/h1-2,6-11,14H,3-5,12H2,(H,20,21)/t14-/m0/s1
InChIKeyAVTMTNYAXUTDRY-AWEZNQCLSA-N
MW315.80 g/mol
LogP4.57
Rot. Bonds4

About (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 40972536) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID40972536
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CC=CCC1
InChIInChI=1S/C18H18ClNO2/c19-15-8-6-13(7-9-15)17-11-10-16(22-17)12-20-18(21)14-4-2-1-3-5-14/h1-2,6-11,14H,3-5,12H2,(H,20,21)/t14-/m0/s1
InChIKeyAVTMTNYAXUTDRY-AWEZNQCLSA-N
XLogP4.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 91838469
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42896023
2,2,2-trifluoroethyl 4-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 46532323
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125175436
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
CID 26985367
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 56791232
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918882

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 40972536) is (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is AVTMTNYAXUTDRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-15-8-6-13(7-9-15)17-11-10-16(22-17)12-20-18(21)14-4-2-1-3-5-14/h1-2,6-11,14H,3-5,12H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 40972536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).