N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide

C23H29ClN4O2 — CID 55841557

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-16(2)26-23(30)27-20-10-8-17(9-11-20)22(29)25-15-21(28-12-3-4-13-28)18-6-5-7-19(24)14-18/h5-11,14,16,21H,3-4,12-13,15H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyLUBLVVGOVBVCJK-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.44
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55841557) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55841557
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-16(2)26-23(30)27-20-10-8-17(9-11-20)22(29)25-15-21(28-12-3-4-13-28)18-6-5-7-19(24)14-18/h5-11,14,16,21H,3-4,12-13,15H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyLUBLVVGOVBVCJK-UHFFFAOYSA-N
XLogP4.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 60567599
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648199
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871896
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(ethylsulfamoyl)benzamide
CID 55967220

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 55841557) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is LUBLVVGOVBVCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-16(2)26-23(30)27-20-10-8-17(9-11-20)22(29)25-15-21(28-12-3-4-13-28)18-6-5-7-19(24)14-18/h5-11,14,16,21H,3-4,12-13,15H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 428.96 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55841557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).