2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide

C23H28ClN3O2 — CID 51135599

IUPAC2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1Cl
InChIInChI=1S/C23H28ClN3O2/c1-3-26(4-2)23(29)19-13-12-18(16-20(19)24)25-22(28)21(27-14-8-9-15-27)17-10-6-5-7-11-17/h5-7,10-13,16,21H,3-4,8-9,14-15H2,1-2H3,(H,25,28)
InChIKeyAPSIEDJEPMCQDZ-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.60
Rot. Bonds7

About 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide

2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 51135599) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
PubChem CID51135599
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1Cl
InChIInChI=1S/C23H28ClN3O2/c1-3-26(4-2)23(29)19-13-12-18(16-20(19)24)25-22(28)21(27-14-8-9-15-27)17-10-6-5-7-11-17/h5-7,10-13,16,21H,3-4,8-9,14-15H2,1-2H3,(H,25,28)
InChIKeyAPSIEDJEPMCQDZ-UHFFFAOYSA-N
XLogP4.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
5-[[(2R)-2-chloro-2-phenylacetyl]amino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1066282
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516265
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985
4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55931672
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 51135599) is 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide?
The InChIKey is APSIEDJEPMCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-3-26(4-2)23(29)19-13-12-18(16-20(19)24)25-22(28)21(27-14-8-9-15-27)17-10-6-5-7-11-17/h5-7,10-13,16,21H,3-4,8-9,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide?
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 413.95 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 51135599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).