3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

C19H21ClN2O — CID 53251733

IUPAC3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-16-4-1-3-15(13-16)19(23)22-18-10-7-14(8-11-18)6-9-17-5-2-12-21-17/h1,3-4,7-8,10-11,13,17,21H,2,5-6,9,12H2,(H,22,23)
InChIKeyKGNFUKAKSJPFKX-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.28
Rot. Bonds5

About 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide (PubChem CID 53251733) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
PubChem CID53251733
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-16-4-1-3-15(13-16)19(23)22-18-10-7-14(8-11-18)6-9-17-5-2-12-21-17/h1,3-4,7-8,10-11,13,17,21H,2,5-6,9,12H2,(H,22,23)
InChIKeyKGNFUKAKSJPFKX-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide (CID 53251733) is 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide is O=C(Nc1ccc(CCC2CCCN2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The InChIKey is KGNFUKAKSJPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-16-4-1-3-15(13-16)19(23)22-18-10-7-14(8-11-18)6-9-17-5-2-12-21-17/h1,3-4,7-8,10-11,13,17,21H,2,5-6,9,12H2,(H,22,23).
What are the key properties of 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide has a molecular weight of 328.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide is sourced from PubChem (CID 53251733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).