3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide

C14H20ClN3O3 — CID 102665027

IUPAC3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide
SMILESCOCCNC(=O)CCNCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-21-7-6-18-13(19)4-5-17-9-11-3-2-10(14(16)20)8-12(11)15/h2-3,8,17H,4-7,9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyJACXWRBOXQEKQH-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.68
Rot. Bonds9

About 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide

3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide (PubChem CID 102665027) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide
PubChem CID102665027
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide
SMILESCOCCNC(=O)CCNCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-21-7-6-18-13(19)4-5-17-9-11-3-2-10(14(16)20)8-12(11)15/h2-3,8,17H,4-7,9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyJACXWRBOXQEKQH-UHFFFAOYSA-N
XLogP0.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 102665012
3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide
CID 102664929
3-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-propylpropanamide
CID 102667236
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
3-chloro-4-[[2-(2-methylpropoxy)ethylamino]methyl]benzamide
CID 102665152
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
3-[(5-chloro-2-nitrophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115642667
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide (CID 102665027) is 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide is COCCNC(=O)CCNCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide?
The InChIKey is JACXWRBOXQEKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-21-7-6-18-13(19)4-5-17-9-11-3-2-10(14(16)20)8-12(11)15/h2-3,8,17H,4-7,9H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide?
3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide has a molecular weight of 313.79 g/mol, XLogP of 0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide is sourced from PubChem (CID 102665027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).