N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide

C13H19ClN4O2 — CID 43373835

IUPACN-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(Cl)cc1N)CC(N)=O
InChIInChI=1S/C13H19ClN4O2/c1-18(8-12(16)19)6-2-3-13(20)17-11-5-4-9(14)7-10(11)15/h4-5,7H,2-3,6,8,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyAHPBIAAEOBFWGG-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.06
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide

N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide (PubChem CID 43373835) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
PubChem CID43373835
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(Cl)cc1N)CC(N)=O
InChIInChI=1S/C13H19ClN4O2/c1-18(8-12(16)19)6-2-3-13(20)17-11-5-4-9(14)7-10(11)15/h4-5,7H,2-3,6,8,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyAHPBIAAEOBFWGG-UHFFFAOYSA-N
XLogP1.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.06
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)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide (CID 43373835) is N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide is CN(CCCC(=O)Nc1ccc(Cl)cc1N)CC(N)=O.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide?
The InChIKey is AHPBIAAEOBFWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-18(8-12(16)19)6-2-3-13(20)17-11-5-4-9(14)7-10(11)15/h4-5,7H,2-3,6,8,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide?
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide has a molecular weight of 298.77 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide is sourced from PubChem (CID 43373835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).