N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide

C18H15ClN2O3 — CID 177139933

IUPACN-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-10(11-2-4-12(5-3-11)17(20)22)21-18(23)16-9-13-8-14(19)6-7-15(13)24-16/h2-10H,1H3,(H2,20,22)(H,21,23)
InChIKeyHIGCJJHRRDVLAF-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.68
Rot. Bonds4

About N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide

N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 177139933) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
PubChem CID177139933
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-10(11-2-4-12(5-3-11)17(20)22)21-18(23)16-9-13-8-14(19)6-7-15(13)24-16/h2-10H,1H3,(H2,20,22)(H,21,23)
InChIKeyHIGCJJHRRDVLAF-UHFFFAOYSA-N
XLogP3.68
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17496216
5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 94806137
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 75383586
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
CID 177140063

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide (CID 177139933) is N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(C(N)=O)cc1.
What is the InChIKey of N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is HIGCJJHRRDVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-10(11-2-4-12(5-3-11)17(20)22)21-18(23)16-9-13-8-14(19)6-7-15(13)24-16/h2-10H,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide?
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 177139933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).