2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide

C15H22ClN3O3 — CID 118770271

IUPAC2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide
SMILESCN(C)C(=O)CCCNC(=O)c1cc(Cl)ccc1OCCN
InChIInChI=1S/C15H22ClN3O3/c1-19(2)14(20)4-3-8-18-15(21)12-10-11(16)5-6-13(12)22-9-7-17/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,18,21)
InChIKeyYCPAMCWWASGVRL-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.28
Rot. Bonds8

About 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide

2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide (PubChem CID 118770271) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide
PubChem CID118770271
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide
SMILESCN(C)C(=O)CCCNC(=O)c1cc(Cl)ccc1OCCN
InChIInChI=1S/C15H22ClN3O3/c1-19(2)14(20)4-3-8-18-15(21)12-10-11(16)5-6-13(12)22-9-7-17/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,18,21)
InChIKeyYCPAMCWWASGVRL-UHFFFAOYSA-N
XLogP1.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
2-butoxy-5-chlorobenzohydrazide
CID 54795706
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 71043129

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide (CID 118770271) is 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide is CN(C)C(=O)CCCNC(=O)c1cc(Cl)ccc1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
The InChIKey is YCPAMCWWASGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-19(2)14(20)4-3-8-18-15(21)12-10-11(16)5-6-13(12)22-9-7-17/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide has a molecular weight of 327.81 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 118770271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).