4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide

C22H26ClN3O3 — CID 55814806

IUPAC4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O3/c23-20-6-4-19(5-7-20)22(28)24-9-8-21(27)25-15-17-2-1-3-18(14-17)16-26-10-12-29-13-11-26/h1-7,14H,8-13,15-16H2,(H,24,28)(H,25,27)
InChIKeyXWMKZPWTELKGMI-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.61
Rot. Bonds8

About 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide (PubChem CID 55814806) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
PubChem CID55814806
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O3/c23-20-6-4-19(5-7-20)22(28)24-9-8-21(27)25-15-17-2-1-3-18(14-17)16-26-10-12-29-13-11-26/h1-7,14H,8-13,15-16H2,(H,24,28)(H,25,27)
InChIKeyXWMKZPWTELKGMI-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005
2,4-dichloro-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571030
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 43917914
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 94134184
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide (CID 55814806) is 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
The InChIKey is XWMKZPWTELKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c23-20-6-4-19(5-7-20)22(28)24-9-8-21(27)25-15-17-2-1-3-18(14-17)16-26-10-12-29-13-11-26/h1-7,14H,8-13,15-16H2,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55814806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).