1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide

C19H21ClN2O4 — CID 87016388

IUPAC1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O4/c20-15-4-6-16(7-5-15)22-12-14(11-18(22)23)19(24)21-8-2-9-25-13-17-3-1-10-26-17/h1,3-7,10,14H,2,8-9,11-13H2,(H,21,24)
InChIKeyIETGSIAXJQWLAG-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.01
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 87016388) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID87016388
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O4/c20-15-4-6-16(7-5-15)22-12-14(11-18(22)23)19(24)21-8-2-9-25-13-17-3-1-10-26-17/h1,3-7,10,14H,2,8-9,11-13H2,(H,21,24)
InChIKeyIETGSIAXJQWLAG-UHFFFAOYSA-N
XLogP3.01
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464
1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
CID 87016245
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234476
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(4-chlorophenyl)-N-(3-formamidopropyl)-5-oxopyrrolidine-3-carboxamide
CID 108787223
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
(3S)-1-(4-bromophenyl)-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 25473658

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide (CID 87016388) is 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCCOCc1ccco1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IETGSIAXJQWLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c20-15-4-6-16(7-5-15)22-12-14(11-18(22)23)19(24)21-8-2-9-25-13-17-3-1-10-26-17/h1,3-7,10,14H,2,8-9,11-13H2,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 87016388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).