N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide

C19H21ClN2O — CID 70967822

IUPACN-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-7-9-18(10-8-17)21-19(23)16-5-3-15(4-6-16)11-14-22-12-1-2-13-22/h3-10H,1-2,11-14H2,(H,21,23)
InChIKeyYTIZSPYUIQHPGW-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.23
Rot. Bonds5

About N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide

N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 70967822) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID70967822
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-7-9-18(10-8-17)21-19(23)16-5-3-15(4-6-16)11-14-22-12-1-2-13-22/h3-10H,1-2,11-14H2,(H,21,23)
InChIKeyYTIZSPYUIQHPGW-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575104
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
2-[4-[[4-[(4-chlorophenyl)carbamoyl]phenyl]methyl]piperazin-1-yl]ethanesulfonic acid
CID 10071792
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide (CID 70967822) is N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(CCN2CCCC2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YTIZSPYUIQHPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-7-9-18(10-8-17)21-19(23)16-5-3-15(4-6-16)11-14-22-12-1-2-13-22/h3-10H,1-2,11-14H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide?
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 328.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 70967822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).