N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide

C13H19ClN4O2 — CID 43374477

IUPACN-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN4O2/c1-8(18(3)7-12(19)16-2)13(20)17-11-6-9(14)4-5-10(11)15/h4-6,8H,7,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUWESMHYDZRPINP-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.93
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide

N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43374477) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
PubChem CID43374477
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN4O2/c1-8(18(3)7-12(19)16-2)13(20)17-11-6-9(14)4-5-10(11)15/h4-6,8H,7,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUWESMHYDZRPINP-UHFFFAOYSA-N
XLogP0.93
TPSA87.46 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 ≤ 50.93
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

N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049502
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 25490882

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (CID 43374477) is N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is CNC(=O)CN(C)C(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is UWESMHYDZRPINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-8(18(3)7-12(19)16-2)13(20)17-11-6-9(14)4-5-10(11)15/h4-6,8H,7,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 298.77 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43374477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).