2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide

C13H18ClN3O2 — CID 63660396

IUPAC2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-2-7-16-11(18)6-8-17-13(19)12-9(14)4-3-5-10(12)15/h3-5H,2,6-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNQMZQJYAEKCTMM-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.57
Rot. Bonds6

About 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide

2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide (PubChem CID 63660396) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
PubChem CID63660396
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-2-7-16-11(18)6-8-17-13(19)12-9(14)4-3-5-10(12)15/h3-5H,2,6-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNQMZQJYAEKCTMM-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.57
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-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422
[2-oxo-2-(propylamino)ethyl] 2-amino-6-chlorobenzoate
CID 63662564
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
CID 106233283
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62242207
[2-(butylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63663469
2-amino-3-chloro-N-propylbenzamide
CID 80503191

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide (CID 63660396) is 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide is CCCNC(=O)CCNC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
The InChIKey is NQMZQJYAEKCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-7-16-11(18)6-8-17-13(19)12-9(14)4-3-5-10(12)15/h3-5H,2,6-8,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.57, 6 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-[3-oxo-3-(propylamino)propyl]benzamide is sourced from PubChem (CID 63660396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).