N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide

C19H16ClNO3 — CID 17496216

IUPACN-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C19H16ClNO3/c1-11(21-12(2)22)13-3-5-14(6-4-13)19(23)18-10-15-9-16(20)7-8-17(15)24-18/h3-11H,1-2H3,(H,21,22)
InChIKeyDTJYTESLLYSTCY-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.51
Rot. Bonds4

About N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide

N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide (PubChem CID 17496216) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
PubChem CID17496216
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C19H16ClNO3/c1-11(21-12(2)22)13-3-5-14(6-4-13)19(23)18-10-15-9-16(20)7-8-17(15)24-18/h3-11H,1-2H3,(H,21,22)
InChIKeyDTJYTESLLYSTCY-UHFFFAOYSA-N
XLogP4.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(E)-3-[2-(4-chlorobenzoyl)-1-benzofuran-5-yl]-2-methylprop-2-enoic acid
CID 170873364
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
N-[(1R)-1-[4-[(2S)-2-chloropropanoyl]phenyl]ethyl]acetamide
CID 124500379
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 114737396
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide (CID 17496216) is N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
The InChIKey is DTJYTESLLYSTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11(21-12(2)22)13-3-5-14(6-4-13)19(23)18-10-15-9-16(20)7-8-17(15)24-18/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide has a molecular weight of 341.79 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 17496216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).