2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide

C15H15Cl3N2O2 — CID 1099711

IUPAC2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(Cc1ccccc1)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H15Cl3N2O2/c16-15(17,18)14(19-10-12-7-4-8-22-12)20-13(21)9-11-5-2-1-3-6-11/h1-8,14,19H,9-10H2,(H,20,21)/t14-/m1/s1
InChIKeyIPHIHOYWTBIIJG-CQSZACIVSA-N
MW361.66 g/mol
LogP3.42
Rot. Bonds6

About 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide

2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide (PubChem CID 1099711) has the molecular formula C15H15Cl3N2O2 and a molecular weight of 361.66 g/mol. Its IUPAC name is 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide
PubChem CID1099711
Molecular FormulaC15H15Cl3N2O2
Molecular Weight361.66 g/mol
Exact Mass360.02
IUPAC Name2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(Cc1ccccc1)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H15Cl3N2O2/c16-15(17,18)14(19-10-12-7-4-8-22-12)20-13(21)9-11-5-2-1-3-6-11/h1-8,14,19H,9-10H2,(H,20,21)/t14-/m1/s1
InChIKeyIPHIHOYWTBIIJG-CQSZACIVSA-N
XLogP3.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide
CID 2850217
N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
CID 4739398
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]propanamide
CID 822552
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655784
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
N-[(1S)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]furan-2-carboxamide
CID 31725764
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide (CID 1099711) is 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide is O=C(Cc1ccccc1)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is IPHIHOYWTBIIJG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15Cl3N2O2/c16-15(17,18)14(19-10-12-7-4-8-22-12)20-13(21)9-11-5-2-1-3-6-11/h1-8,14,19H,9-10H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide?
2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 361.66 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 1099711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).