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

C17H16ClNO2 — CID 91838469

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2Cl)o1)C1CC=CC1
InChIInChI=1S/C17H16ClNO2/c18-15-8-4-3-7-14(15)16-10-9-13(21-16)11-19-17(20)12-5-1-2-6-12/h1-4,7-10,12H,5-6,11H2,(H,19,20)
InChIKeyXPKKZPGEMBTCPW-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.18
Rot. Bonds4

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

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 91838469) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID91838469
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2Cl)o1)C1CC=CC1
InChIInChI=1S/C17H16ClNO2/c18-15-8-4-3-7-14(15)16-10-9-13(21-16)11-19-17(20)12-5-1-2-6-12/h1-4,7-10,12H,5-6,11H2,(H,19,20)
InChIKeyXPKKZPGEMBTCPW-UHFFFAOYSA-N
XLogP4.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.18
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

(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 40972536
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66528110
(2S)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 99124959
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide (CID 91838469) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide is O=C(NCc1ccc(-c2ccccc2Cl)o1)C1CC=CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is XPKKZPGEMBTCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-8-4-3-7-14(15)16-10-9-13(21-16)11-19-17(20)12-5-1-2-6-12/h1-4,7-10,12H,5-6,11H2,(H,19,20).
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 91838469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).