5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide

C13H19ClN4O2 — CID 107194778

IUPAC5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CN(C)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H19ClN4O2/c1-3-4-17-11(19)7-18(2)12-9(13(16)20)5-8(15)6-10(12)14/h5-6H,3-4,7,15H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyFRTOMTPFIHFQLD-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.98
Rot. Bonds6

About 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide

5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide (PubChem CID 107194778) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
PubChem CID107194778
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CN(C)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H19ClN4O2/c1-3-4-17-11(19)7-18(2)12-9(13(16)20)5-8(15)6-10(12)14/h5-6H,3-4,7,15H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyFRTOMTPFIHFQLD-UHFFFAOYSA-N
XLogP0.98
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
CID 107196614
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
5-amino-2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-chlorobenzamide
CID 107195251
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 107196251
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide (CID 107194778) is 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide is CCCNC(=O)CN(C)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The InChIKey is FRTOMTPFIHFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-3-4-17-11(19)7-18(2)12-9(13(16)20)5-8(15)6-10(12)14/h5-6H,3-4,7,15H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide has a molecular weight of 298.77 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide is sourced from PubChem (CID 107194778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).