N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide

C17H23ClN2O — CID 118774266

IUPACN-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)NC1(c2ccccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C17H23ClN2O/c1-2-15(20-11-5-6-12-20)16(21)19-17(9-10-17)13-7-3-4-8-14(13)18/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,19,21)
InChIKeyZPVDGOBUDDXTNF-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.32
Rot. Bonds5

About N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide

N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide (PubChem CID 118774266) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide
PubChem CID118774266
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)NC1(c2ccccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C17H23ClN2O/c1-2-15(20-11-5-6-12-20)16(21)19-17(9-10-17)13-7-3-4-8-14(13)18/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,19,21)
InChIKeyZPVDGOBUDDXTNF-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2478755
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pentanamide
CID 11515426
(S)-N-(2,4-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11529992
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)butyramide
CID 11558708
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cyclopropanecarboxamide
CID 11580456
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)propionamide
CID 11659436
(S)-N-(2,4-dichlorobenzyl)-3,3-dimethyl-N-(pyrrolidin-3-yl)butanamide
CID 11660186
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide (CID 118774266) is N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide is CCC(C(=O)NC1(c2ccccc2Cl)CC1)N1CCCC1.
What is the InChIKey of N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide?
The InChIKey is ZPVDGOBUDDXTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-2-15(20-11-5-6-12-20)16(21)19-17(9-10-17)13-7-3-4-8-14(13)18/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide?
N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide has a molecular weight of 306.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)cyclopropyl]-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 118774266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).