N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide

C15H16ClNO2 — CID 168527698

IUPACN-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2ccco2)cc1Cl
InChIInChI=1S/C15H16ClNO2/c1-15(2,3)14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13/h4-9H,1-3H3,(H,17,18)
InChIKeyUUHYWCVNOVBIFZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.58
Rot. Bonds2

About N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide

N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 168527698) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID168527698
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2ccco2)cc1Cl
InChIInChI=1S/C15H16ClNO2/c1-15(2,3)14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13/h4-9H,1-3H3,(H,17,18)
InChIKeyUUHYWCVNOVBIFZ-UHFFFAOYSA-N
XLogP4.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide
CID 142203101
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
N-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropanamide
CID 169354945
5-chloro-N-[2-fluoro-5-(furan-2-yl)phenyl]furan-2-carboxamide
CID 100626853
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-[4-(furan-2-yl)-2-methoxyphenyl]-2-methoxyacetamide
CID 168524887
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide (CID 168527698) is N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2ccco2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is UUHYWCVNOVBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-15(2,3)14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 277.75 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168527698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).