2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C24H29ClN4O3 — CID 29463616

IUPAC2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(CNc1cc(Cl)ccc1N1CCOCC1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29ClN4O3/c25-20-7-8-22(28-11-13-32-14-12-28)21(15-20)26-17-23(30)27-16-18-3-5-19(6-4-18)24(31)29-9-1-2-10-29/h3-8,15,26H,1-2,9-14,16-17H2,(H,27,30)
InChIKeyHYBTVCDVBKDTKW-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.14
Rot. Bonds7

About 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 29463616) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID29463616
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(CNc1cc(Cl)ccc1N1CCOCC1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29ClN4O3/c25-20-7-8-22(28-11-13-32-14-12-28)21(15-20)26-17-23(30)27-16-18-3-5-19(6-4-18)24(31)29-9-1-2-10-29/h3-8,15,26H,1-2,9-14,16-17H2,(H,27,30)
InChIKeyHYBTVCDVBKDTKW-UHFFFAOYSA-N
XLogP3.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55898307
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 55345467
2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 51199571
N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 55897278
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
(3R)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136129
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 29463616) is 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is O=C(CNc1cc(Cl)ccc1N1CCOCC1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is HYBTVCDVBKDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c25-20-7-8-22(28-11-13-32-14-12-28)21(15-20)26-17-23(30)27-16-18-3-5-19(6-4-18)24(31)29-9-1-2-10-29/h3-8,15,26H,1-2,9-14,16-17H2,(H,27,30).
What are the key properties of 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 456.97 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 29463616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).