2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide

C20H22ClN3O3 — CID 7409258

IUPAC2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c21-18-4-2-1-3-17(18)20(26)22-10-9-19(25)23-15-5-7-16(8-6-15)24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25)
InChIKeyQYPFZZPMXYQZMY-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.94
Rot. Bonds6

About 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide

2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide (PubChem CID 7409258) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
PubChem CID7409258
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c21-18-4-2-1-3-17(18)20(26)22-10-9-19(25)23-15-5-7-16(8-6-15)24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25)
InChIKeyQYPFZZPMXYQZMY-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 9033716
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411376
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002
2-chloro-4-fluoro-N-[3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55755168
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide (CID 7409258) is 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide?
The InChIKey is QYPFZZPMXYQZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-18-4-2-1-3-17(18)20(26)22-10-9-19(25)23-15-5-7-16(8-6-15)24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25).
What are the key properties of 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide?
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide has a molecular weight of 387.87 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7409258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).