N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide

C19H18ClNO2 — CID 2725761

IUPACN-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C19H18ClNO2/c1-19(2,3)18(22)21-15-7-4-12(5-8-15)17-11-13-10-14(20)6-9-16(13)23-17/h4-11H,1-3H3,(H,21,22)
InChIKeyNJJUBYPRVCRYMJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP5.74
Rot. Bonds2

About N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide

N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 2725761) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID2725761
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC NameN-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C19H18ClNO2/c1-19(2,3)18(22)21-15-7-4-12(5-8-15)17-11-13-10-14(20)6-9-16(13)23-17/h4-11H,1-3H3,(H,21,22)
InChIKeyNJJUBYPRVCRYMJ-UHFFFAOYSA-N
XLogP5.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide (CID 2725761) is N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is NJJUBYPRVCRYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-19(2,3)18(22)21-15-7-4-12(5-8-15)17-11-13-10-14(20)6-9-16(13)23-17/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 327.81 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1-benzofuran-2-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2725761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).