2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide

C14H20ClF2NO2 — CID 167884453

IUPAC2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
SMILESCCC(F)(F)C(C)(C)CN(Cc1ccco1)C(=O)CCl
InChIInChI=1S/C14H20ClF2NO2/c1-4-14(16,17)13(2,3)10-18(12(19)8-15)9-11-6-5-7-20-11/h5-7H,4,8-10H2,1-3H3
InChIKeyWUUBCRGADIPEHA-UHFFFAOYSA-N
MW307.77 g/mol
LogP3.92
Rot. Bonds7

About 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide

2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 167884453) has the molecular formula C14H20ClF2NO2 and a molecular weight of 307.77 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID167884453
Molecular FormulaC14H20ClF2NO2
Molecular Weight307.77 g/mol
Exact Mass307.12
IUPAC Name2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
SMILESCCC(F)(F)C(C)(C)CN(Cc1ccco1)C(=O)CCl
InChIInChI=1S/C14H20ClF2NO2/c1-4-14(16,17)13(2,3)10-18(12(19)8-15)9-11-6-5-7-20-11/h5-7H,4,8-10H2,1-3H3
InChIKeyWUUBCRGADIPEHA-UHFFFAOYSA-N
XLogP3.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 166415332
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39402827
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide (CID 167884453) is 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide is CCC(F)(F)C(C)(C)CN(Cc1ccco1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WUUBCRGADIPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2NO2/c1-4-14(16,17)13(2,3)10-18(12(19)8-15)9-11-6-5-7-20-11/h5-7H,4,8-10H2,1-3H3.
What are the key properties of 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide?
2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 307.77 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 167884453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).