2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide

C12H16ClN3O2 — CID 63660422

IUPAC2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-2-6-15-10(17)7-16-12(18)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyLHTPGZGJFISTCX-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide

2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 63660422) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID63660422
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-2-6-15-10(17)7-16-12(18)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyLHTPGZGJFISTCX-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.18
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

2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
[2-oxo-2-(propylamino)ethyl] 2-amino-6-chlorobenzoate
CID 63662564
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
[2-(butylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63663469
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
CID 106233283
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 63660422) is 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is LHTPGZGJFISTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-6-15-10(17)7-16-12(18)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 63660422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).