2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C23H29ClN4O3 — CID 71912798

IUPAC2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)N2CCCC2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-27(2)23(30)26-17-8-11-19(20(24)14-17)22(29)25-15-21(28-12-4-5-13-28)16-6-9-18(31-3)10-7-16/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyXVAAJTPVYPRWII-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.01
Rot. Bonds7

About 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 71912798) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID71912798
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)N2CCCC2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-27(2)23(30)26-17-8-11-19(20(24)14-17)22(29)25-15-21(28-12-4-5-13-28)16-6-9-18(31-3)10-7-16/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyXVAAJTPVYPRWII-UHFFFAOYSA-N
XLogP4.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 18583594
2-(2,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17422607
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7192257
3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 78815862
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 71912798) is 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccc(C(CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)N2CCCC2)cc1.
What is the InChIKey of 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is XVAAJTPVYPRWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-27(2)23(30)26-17-8-11-19(20(24)14-17)22(29)25-15-21(28-12-4-5-13-28)16-6-9-18(31-3)10-7-16/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 444.96 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 71912798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).