N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C17H17N3O4 — CID 24659016

IUPACN-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C17H17N3O4/c18-15(21)11-4-1-5-12(10-11)19-16(22)13-6-2-8-20(13)17(23)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2,(H2,18,21)(H,19,22)
InChIKeyRKXNHBYHDFPAFM-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.62
Rot. Bonds4

About N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 24659016) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID24659016
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C17H17N3O4/c18-15(21)11-4-1-5-12(10-11)19-16(22)13-6-2-8-20(13)17(23)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2,(H2,18,21)(H,19,22)
InChIKeyRKXNHBYHDFPAFM-UHFFFAOYSA-N
XLogP1.62
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
CID 55979205

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 24659016) is N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is NC(=O)c1cccc(NC(=O)C2CCCN2C(=O)c2ccco2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RKXNHBYHDFPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c18-15(21)11-4-1-5-12(10-11)19-16(22)13-6-2-8-20(13)17(23)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2,(H2,18,21)(H,19,22).
What are the key properties of N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24659016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).