1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

C18H25Cl2N3O2 — CID 119731279

IUPAC1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESNCCCCCCC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c19-13-10-14(20)12-15(11-13)22-18(25)16-6-5-9-23(16)17(24)7-3-1-2-4-8-21/h10-12,16H,1-9,21H2,(H,22,25)
InChIKeyOBJNMSADUNNKFI-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.83
Rot. Bonds8

About 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 119731279) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID119731279
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESNCCCCCCC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c19-13-10-14(20)12-15(11-13)22-18(25)16-6-5-9-23(16)17(24)7-3-1-2-4-8-21/h10-12,16H,1-9,21H2,(H,22,25)
InChIKeyOBJNMSADUNNKFI-UHFFFAOYSA-N
XLogP3.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
N-(3,5-dichlorophenyl)-1-[2-(3-fluorophenyl)acetyl]pyrrolidine-2-carboxamide
CID 55613895
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120990196
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide
CID 55965663
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (CID 119731279) is 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is NCCCCCCC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is OBJNMSADUNNKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O2/c19-13-10-14(20)12-15(11-13)22-18(25)16-6-5-9-23(16)17(24)7-3-1-2-4-8-21/h10-12,16H,1-9,21H2,(H,22,25).
What are the key properties of 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 386.32 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119731279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).