3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide

C11H14ClN3O2 — CID 112574891

IUPAC3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C11H14ClN3O2/c1-2-14-9(16)6-15-11(17)7-4-3-5-8(13)10(7)12/h3-5H,2,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyJTVQNIKGEOMSOR-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.79
Rot. Bonds4

About 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide

3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 112574891) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID112574891
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C11H14ClN3O2/c1-2-14-9(16)6-15-11(17)7-4-3-5-8(13)10(7)12/h3-5H,2,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyJTVQNIKGEOMSOR-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 112576097
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
6-amino-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 62238608

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 112574891) is 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is JTVQNIKGEOMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-14-9(16)6-15-11(17)7-4-3-5-8(13)10(7)12/h3-5H,2,6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 255.71 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112574891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).