2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide

C14H14ClNO2 — CID 81400828

IUPAC2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)C(Cl)c1ccccc1)c1ccco1
InChIInChI=1S/C14H14ClNO2/c1-10(12-8-5-9-18-12)16-14(17)13(15)11-6-3-2-4-7-11/h2-10,13H,1H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyATOFTNLNFONEAN-NKUHCKNESA-N
MW263.72 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide

2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide (PubChem CID 81400828) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
PubChem CID81400828
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)C(Cl)c1ccccc1)c1ccco1
InChIInChI=1S/C14H14ClNO2/c1-10(12-8-5-9-18-12)16-14(17)13(15)11-6-3-2-4-7-11/h2-10,13H,1H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyATOFTNLNFONEAN-NKUHCKNESA-N
XLogP3.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
CID 43523376
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18127116
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
CID 62855564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide (CID 81400828) is 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide is C[C@H](NC(=O)C(Cl)c1ccccc1)c1ccco1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is ATOFTNLNFONEAN-NKUHCKNESA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10(12-8-5-9-18-12)16-14(17)13(15)11-6-3-2-4-7-11/h2-10,13H,1H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide?
2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 263.72 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 81400828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).