3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride

C19H23Cl2N3O3 — CID 119717718

IUPAC3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2cccc(N)c2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-3-23(4-2)18(24)12-26-17-9-8-15(11-16(17)20)22-19(25)13-6-5-7-14(21)10-13;/h5-11H,3-4,12,21H2,1-2H3,(H,22,25);1H
InChIKeyFZOGVYBYTKZYHI-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.84
Rot. Bonds7

About 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride

3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride (PubChem CID 119717718) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
PubChem CID119717718
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2cccc(N)c2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-3-23(4-2)18(24)12-26-17-9-8-15(11-16(17)20)22-19(25)13-6-5-7-14(21)10-13;/h5-11H,3-4,12,21H2,1-2H3,(H,22,25);1H
InChIKeyFZOGVYBYTKZYHI-UHFFFAOYSA-N
XLogP3.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 46423572
3-bromo-N-[2-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 46423639
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride (CID 119717718) is 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride is CCN(CC)C(=O)COc1ccc(NC(=O)c2cccc(N)c2)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride?
The InChIKey is FZOGVYBYTKZYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3.ClH/c1-3-23(4-2)18(24)12-26-17-9-8-15(11-16(17)20)22-19(25)13-6-5-7-14(21)10-13;/h5-11H,3-4,12,21H2,1-2H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride?
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119717718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).