N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide

C13H18ClN2O+ — CID 4745825

IUPACN-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
SMILESO=C(CC[NH+]1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17)/p+1
InChIKeyQGRHQWYMNPSSDQ-UHFFFAOYSA-O
MW253.75 g/mol
LogP1.35
Rot. Bonds4

About N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide

N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide (PubChem CID 4745825) has the molecular formula C13H18ClN2O+ and a molecular weight of 253.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
PubChem CID4745825
Molecular FormulaC13H18ClN2O+
Molecular Weight253.75 g/mol
Exact Mass253.11
IUPAC NameN-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
SMILESO=C(CC[NH+]1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17)/p+1
InChIKeyQGRHQWYMNPSSDQ-UHFFFAOYSA-O
XLogP1.35
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(3,4-difluorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
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N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
ethyl (3S)-1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate
CID 6934939
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide
CID 3419888
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide (CID 4745825) is N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide is O=C(CC[NH+]1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
The InChIKey is QGRHQWYMNPSSDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17ClN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17)/p+1.
What are the key properties of N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide has a molecular weight of 253.75 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 4745825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).