3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide

C15H22ClN3O2 — CID 119873215

IUPAC3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)CC(C)N)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(17)7-15(20)18-12-5-6-19(9-12)13-8-11(16)3-4-14(13)21-2/h3-4,8,10,12H,5-7,9,17H2,1-2H3,(H,18,20)
InChIKeyWZVHLTZPJKLIAA-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.78
Rot. Bonds5

About 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide

3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide (PubChem CID 119873215) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
PubChem CID119873215
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)CC(C)N)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(17)7-15(20)18-12-5-6-19(9-12)13-8-11(16)3-4-14(13)21-2/h3-4,8,10,12H,5-7,9,17H2,1-2H3,(H,18,20)
InChIKeyWZVHLTZPJKLIAA-UHFFFAOYSA-N
XLogP1.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873204
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
4-[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133774
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873198
N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyanomethylsulfanyl)acetamide
CID 124605853
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873218
trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 125147471
N-[2-[[[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111917561
(2R,6S)-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 99819959
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645966
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide (CID 119873215) is 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide is COc1ccc(Cl)cc1N1CCC(NC(=O)CC(C)N)C1.
What is the InChIKey of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The InChIKey is WZVHLTZPJKLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(17)7-15(20)18-12-5-6-19(9-12)13-8-11(16)3-4-14(13)21-2/h3-4,8,10,12H,5-7,9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide has a molecular weight of 311.81 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 119873215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).