N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H16Cl2N2O2S — CID 17431239

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-6-5-11(13(19)9-12)10-20-16(22)14-3-1-7-21(14)17(23)15-4-2-8-24-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,20,22)
InChIKeyHZKZCKQORMILLV-UHFFFAOYSA-N
MW383.30 g/mol
LogP3.98
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 17431239) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID17431239
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-6-5-11(13(19)9-12)10-20-16(22)14-3-1-7-21(14)17(23)15-4-2-8-24-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,20,22)
InChIKeyHZKZCKQORMILLV-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
(2S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 37017595
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40953123
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508
(2S)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24516955
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18163760
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17475464
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55331245

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 17431239) is N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HZKZCKQORMILLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-12-6-5-11(13(19)9-12)10-20-16(22)14-3-1-7-21(14)17(23)15-4-2-8-24-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,20,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 383.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 17431239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).