2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide

C21H22ClN3O4 — CID 39939581

IUPAC2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H22ClN3O4/c22-18-4-2-1-3-17(18)21(28)23-14-19(26)24-16-7-5-15(6-8-16)13-20(27)25-9-11-29-12-10-25/h1-8H,9-14H2,(H,23,28)(H,24,26)
InChIKeyYFVHUGBOQGKTCW-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.11
Rot. Bonds6

About 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide

2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide (PubChem CID 39939581) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
PubChem CID39939581
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H22ClN3O4/c22-18-4-2-1-3-17(18)21(28)23-14-19(26)24-16-7-5-15(6-8-16)13-20(27)25-9-11-29-12-10-25/h1-8H,9-14H2,(H,23,28)(H,24,26)
InChIKeyYFVHUGBOQGKTCW-UHFFFAOYSA-N
XLogP2.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39940048
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076552
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide (CID 39939581) is 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is YFVHUGBOQGKTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c22-18-4-2-1-3-17(18)21(28)23-14-19(26)24-16-7-5-15(6-8-16)13-20(27)25-9-11-29-12-10-25/h1-8H,9-14H2,(H,23,28)(H,24,26).
What are the key properties of 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 415.88 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 39939581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).