4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide

C13H18ClN3O — CID 63623817

IUPAC4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)cc1NCCC1CCNC1
InChIInChI=1S/C13H18ClN3O/c14-10-1-2-11(13(15)18)12(7-10)17-6-4-9-3-5-16-8-9/h1-2,7,9,16-17H,3-6,8H2,(H2,15,18)
InChIKeyRGVWNKMIAAZVIT-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.85
Rot. Bonds5

About 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide

4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide (PubChem CID 63623817) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
PubChem CID63623817
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)cc1NCCC1CCNC1
InChIInChI=1S/C13H18ClN3O/c14-10-1-2-11(13(15)18)12(7-10)17-6-4-9-3-5-16-8-9/h1-2,7,9,16-17H,3-6,8H2,(H2,15,18)
InChIKeyRGVWNKMIAAZVIT-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623074
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63624344
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
CID 63871527
2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
CID 63884282
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
CID 55247842
4-chloro-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515846
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide?
The IUPAC name of 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide (CID 63623817) is 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide.
What is the SMILES notation for 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide?
The canonical SMILES for 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide is NC(=O)c1ccc(Cl)cc1NCCC1CCNC1.
What is the InChIKey of 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide?
The InChIKey is RGVWNKMIAAZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-1-2-11(13(15)18)12(7-10)17-6-4-9-3-5-16-8-9/h1-2,7,9,16-17H,3-6,8H2,(H2,15,18).
What are the key properties of 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide?
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide has a molecular weight of 267.76 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide is sourced from PubChem (CID 63623817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).