N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide

C17H13ClN2O3 — CID 177140063

IUPACN-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C17H13ClN2O3/c18-13-6-5-12-7-15(23-14(12)8-13)17(22)20-9-10-1-3-11(4-2-10)16(19)21/h1-8H,9H2,(H2,19,21)(H,20,22)
InChIKeyBDIZMYMPHADOFZ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.12
Rot. Bonds4

About N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide

N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide (PubChem CID 177140063) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
PubChem CID177140063
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C17H13ClN2O3/c18-13-6-5-12-7-15(23-14(12)8-13)17(22)20-9-10-1-3-11(4-2-10)16(19)21/h1-8H,9H2,(H2,19,21)(H,20,22)
InChIKeyBDIZMYMPHADOFZ-UHFFFAOYSA-N
XLogP3.12
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide
CID 144811542
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
N-[(4-carbamoylphenyl)methyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46560653
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
CID 172553836

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide (CID 177140063) is N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide is NC(=O)c1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide?
The InChIKey is BDIZMYMPHADOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-13-6-5-12-7-15(23-14(12)8-13)17(22)20-9-10-1-3-11(4-2-10)16(19)21/h1-8H,9H2,(H2,19,21)(H,20,22).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide?
N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 177140063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).