5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide

C13H18ClN3O — CID 62636573

IUPAC5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C13H18ClN3O/c14-12-4-3-10(15)9-11(12)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8,15H2,(H,16,18)
InChIKeyBHQOFWAPODTNFT-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.75
Rot. Bonds4

About 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide

5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 62636573) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID62636573
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C13H18ClN3O/c14-12-4-3-10(15)9-11(12)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8,15H2,(H,16,18)
InChIKeyBHQOFWAPODTNFT-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
CID 119853632
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 62636573) is 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide is Nc1ccc(Cl)c(C(=O)NCCN2CCCC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is BHQOFWAPODTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-12-4-3-10(15)9-11(12)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8,15H2,(H,16,18).
What are the key properties of 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide?
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 267.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 62636573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).