5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide

C13H19ClN4O2 — CID 107196988

IUPAC5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
SMILESCCN(C)C(=O)C(C)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H19ClN4O2/c1-4-18(3)13(20)7(2)17-11-9(12(16)19)5-8(15)6-10(11)14/h5-7,17H,4,15H2,1-3H3,(H2,16,19)
InChIKeyLKSLPQPAKKCHRQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.30
Rot. Bonds5

About 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide

5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide (PubChem CID 107196988) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
PubChem CID107196988
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
SMILESCCN(C)C(=O)C(C)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H19ClN4O2/c1-4-18(3)13(20)7(2)17-11-9(12(16)19)5-8(15)6-10(11)14/h5-7,17H,4,15H2,1-3H3,(H2,16,19)
InChIKeyLKSLPQPAKKCHRQ-UHFFFAOYSA-N
XLogP1.30
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840
2-(4,6-diamino-3-chloro-2-fluoroanilino)-N-ethyl-N-methylpropanamide
CID 103553561
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
CID 107195031
5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
CID 107195013
5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide
CID 107194018
5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
CID 107195073
methyl 5-amino-3-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzoate
CID 107194963

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide (CID 107196988) is 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide is CCN(C)C(=O)C(C)Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is LKSLPQPAKKCHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-4-18(3)13(20)7(2)17-11-9(12(16)19)5-8(15)6-10(11)14/h5-7,17H,4,15H2,1-3H3,(H2,16,19).
What are the key properties of 5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide?
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 298.77 g/mol, XLogP of 1.30, 5 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-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 107196988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).