N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide

C23H27Cl3N4O2 — CID 23567582

IUPACN-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27Cl3N4O2/c1-15(31)28-21-7-9-30(14-21)8-6-17(16-2-4-18(24)5-3-16)13-27-23(32)29-22-11-19(25)10-20(26)12-22/h2-5,10-12,17,21H,6-9,13-14H2,1H3,(H,28,31)(H2,27,29,32)
InChIKeyYQEAXMRXBHTJDP-UHFFFAOYSA-N
MW497.85 g/mol
LogP5.15
Rot. Bonds8

About N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide

N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide (PubChem CID 23567582) has the molecular formula C23H27Cl3N4O2 and a molecular weight of 497.85 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide
PubChem CID23567582
Molecular FormulaC23H27Cl3N4O2
Molecular Weight497.85 g/mol
Exact Mass496.12
IUPAC NameN-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27Cl3N4O2/c1-15(31)28-21-7-9-30(14-21)8-6-17(16-2-4-18(24)5-3-16)13-27-23(32)29-22-11-19(25)10-20(26)12-22/h2-5,10-12,17,21H,6-9,13-14H2,1H3,(H,28,31)(H2,27,29,32)
InChIKeyYQEAXMRXBHTJDP-UHFFFAOYSA-N
XLogP5.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.85
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide 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

N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 23567583
N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
CID 23567564
N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 23567584
1-(3,5-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]urea
CID 59067154
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]urea
CID 23567514
1-[2-(3,4-dichlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3-(3,4-difluorophenyl)urea
CID 23567276
1-[2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]butyl]-3-(3,5-dichlorophenyl)urea
CID 23567294
1-[4-(cyclopentylamino)-2-[4-(3,4-dichlorophenyl)phenyl]butyl]-3-(3,5-dichlorophenyl)urea
CID 23567347
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide (CID 23567582) is N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide?
The InChIKey is YQEAXMRXBHTJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl3N4O2/c1-15(31)28-21-7-9-30(14-21)8-6-17(16-2-4-18(24)5-3-16)13-27-23(32)29-22-11-19(25)10-20(26)12-22/h2-5,10-12,17,21H,6-9,13-14H2,1H3,(H,28,31)(H2,27,29,32).
What are the key properties of N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide?
N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide has a molecular weight of 497.85 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 23567582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).