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

C15H20ClN3O2 — CID 119770135

IUPAC5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)CC1CCCN1
InChIInChI=1S/C15H20ClN3O2/c1-2-17-15(21)12-8-10(16)5-6-13(12)19-14(20)9-11-4-3-7-18-11/h5-6,8,11,18H,2-4,7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyZKJRQOMZBWTDPS-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.17
Rot. Bonds5

About 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide

5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide (PubChem CID 119770135) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
PubChem CID119770135
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)CC1CCCN1
InChIInChI=1S/C15H20ClN3O2/c1-2-17-15(21)12-8-10(16)5-6-13(12)19-14(20)9-11-4-3-7-18-11/h5-6,8,11,18H,2-4,7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyZKJRQOMZBWTDPS-UHFFFAOYSA-N
XLogP2.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
N-(4-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119808246
N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 81270551
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
N,5-dimethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119800275
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The IUPAC name of 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide (CID 119770135) is 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide is CCNC(=O)c1cc(Cl)ccc1NC(=O)CC1CCCN1.
What is the InChIKey of 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The InChIKey is ZKJRQOMZBWTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-17-15(21)12-8-10(16)5-6-13(12)19-14(20)9-11-4-3-7-18-11/h5-6,8,11,18H,2-4,7,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide has a molecular weight of 309.80 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 119770135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).