5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide

C15H16ClNO2 — CID 82110940

IUPAC5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(C)Cl)o2)c1
InChIInChI=1S/C15H16ClNO2/c1-10-4-3-5-12(8-10)9-17-15(18)14-7-6-13(19-14)11(2)16/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyKSUDHLGPITXFHA-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.82
Rot. Bonds4

About 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide

5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 82110940) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
PubChem CID82110940
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(C)Cl)o2)c1
InChIInChI=1S/C15H16ClNO2/c1-10-4-3-5-12(8-10)9-17-15(18)14-7-6-13(19-14)11(2)16/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyKSUDHLGPITXFHA-UHFFFAOYSA-N
XLogP3.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393000
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 82109061
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3432253
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 3346175

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide (CID 82110940) is 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide is Cc1cccc(CNC(=O)c2ccc(C(C)Cl)o2)c1.
What is the InChIKey of 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is KSUDHLGPITXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-4-3-5-12(8-10)9-17-15(18)14-7-6-13(19-14)11(2)16/h3-8,11H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 82110940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).