2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide

C12H16ClN3O — CID 113284612

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
SMILESNCC1CCCN1c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C12H16ClN3O/c13-9-4-1-5-10(11(9)12(15)17)16-6-2-3-8(16)7-14/h1,4-5,8H,2-3,6-7,14H2,(H2,15,17)
InChIKeySMIKZLSXQVZCNO-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.37
Rot. Bonds3

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide (PubChem CID 113284612) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
PubChem CID113284612
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
SMILESNCC1CCCN1c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C12H16ClN3O/c13-9-4-1-5-10(11(9)12(15)17)16-6-2-3-8(16)7-14/h1,4-5,8H,2-3,6-7,14H2,(H2,15,17)
InChIKeySMIKZLSXQVZCNO-UHFFFAOYSA-N
XLogP1.37
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-ethylpyrrolidin-1-yl)benzoic acid
CID 54882707
2-chloro-6-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 62495647
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
2-chloro-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 55079597
2-[1-(3-bromo-2-carbamoylphenyl)pyrrolidin-2-yl]acetic acid
CID 114880101
2-chloro-N'-hydroxy-6-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 116634940
2-chloro-N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945268
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide
CID 55084464
4-[2-(aminomethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 81051866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide (CID 113284612) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide is NCC1CCCN1c1cccc(Cl)c1C(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide?
The InChIKey is SMIKZLSXQVZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-4-1-5-10(11(9)12(15)17)16-6-2-3-8(16)7-14/h1,4-5,8H,2-3,6-7,14H2,(H2,15,17).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide has a molecular weight of 253.73 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide is sourced from PubChem (CID 113284612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).