2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide

C15H20ClN3O2 — CID 119703587

IUPAC2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
SMILESO=C(CC1CCCN1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O2/c16-13-6-2-1-5-12(13)15(21)19-9-8-18-14(20)10-11-4-3-7-17-11/h1-2,5-6,11,17H,3-4,7-10H2,(H,18,20)(H,19,21)
InChIKeyOVUZGRSMGSRROZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.33
Rot. Bonds6

About 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide

2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide (PubChem CID 119703587) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
PubChem CID119703587
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
SMILESO=C(CC1CCCN1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O2/c16-13-6-2-1-5-12(13)15(21)19-9-8-18-14(20)10-11-4-3-7-17-11/h1-2,5-6,11,17H,3-4,7-10H2,(H,18,20)(H,19,21)
InChIKeyOVUZGRSMGSRROZ-UHFFFAOYSA-N
XLogP1.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
CID 119703573
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide (CID 119703587) is 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide is O=C(CC1CCCN1)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide?
The InChIKey is OVUZGRSMGSRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-6-2-1-5-12(13)15(21)19-9-8-18-14(20)10-11-4-3-7-17-11/h1-2,5-6,11,17H,3-4,7-10H2,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide has a molecular weight of 309.80 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 119703587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).