N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide

C19H23ClN2O3 — CID 97307279

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCOC1
InChIInChI=1S/C19H23ClN2O3/c1-13(15-8-9-24-12-15)21-11-19(23)22-10-17-6-7-18(25-17)14-2-4-16(20)5-3-14/h2-7,13,15,21H,8-12H2,1H3,(H,22,23)/t13-,15-/m1/s1
InChIKeyKTDNPCKTWPAPEB-UKRRQHHQSA-N
MW362.86 g/mol
LogP3.23
Rot. Bonds7

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide (PubChem CID 97307279) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide
PubChem CID97307279
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCOC1
InChIInChI=1S/C19H23ClN2O3/c1-13(15-8-9-24-12-15)21-11-19(23)22-10-17-6-7-18(25-17)14-2-4-16(20)5-3-14/h2-7,13,15,21H,8-12H2,1H3,(H,22,23)/t13-,15-/m1/s1
InChIKeyKTDNPCKTWPAPEB-UKRRQHHQSA-N
XLogP3.23
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide (CID 97307279) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide is C[C@@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCOC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide?
The InChIKey is KTDNPCKTWPAPEB-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13(15-8-9-24-12-15)21-11-19(23)22-10-17-6-7-18(25-17)14-2-4-16(20)5-3-14/h2-7,13,15,21H,8-12H2,1H3,(H,22,23)/t13-,15-/m1/s1.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide has a molecular weight of 362.86 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetamide is sourced from PubChem (CID 97307279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).