2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C25H29ClN4O3 — CID 55898307

IUPAC2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H29ClN4O3/c26-20-9-10-22(21(15-20)25(33)30-13-3-4-14-30)27-17-23(31)28-16-18-5-7-19(8-6-18)24(32)29-11-1-2-12-29/h5-10,15,27H,1-4,11-14,16-17H2,(H,28,31)
InChIKeyVDLYFQCOXZNDCY-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.54
Rot. Bonds7

About 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55898307) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55898307
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H29ClN4O3/c26-20-9-10-22(21(15-20)25(33)30-13-3-4-14-30)27-17-23(31)28-16-18-5-7-19(8-6-18)24(32)29-11-1-2-12-29/h5-10,15,27H,1-4,11-14,16-17H2,(H,28,31)
InChIKeyVDLYFQCOXZNDCY-UHFFFAOYSA-N
XLogP3.54
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 55897278
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
CID 60536841
2-[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 167877524
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 38180894
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
N-[3-[[[2-[5-chloro-2-(piperidine-1-carbonyl)anilino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 60537264

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 55898307) is 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is O=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is VDLYFQCOXZNDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c26-20-9-10-22(21(15-20)25(33)30-13-3-4-14-30)27-17-23(31)28-16-18-5-7-19(8-6-18)24(32)29-11-1-2-12-29/h5-10,15,27H,1-4,11-14,16-17H2,(H,28,31).
What are the key properties of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 468.99 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55898307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).