2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide

C13H17Cl2N3O2 — CID 46665139

IUPAC2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)C
InChIInChI=1S/C13H17Cl2N3O2/c1-6(2)12(17-7(3)19)13(20)18-8-4-9(14)11(16)10(15)5-8/h4-6,12H,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYCADNWGFBJNNRZ-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.67
Rot. Bonds4

About 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide

2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide (PubChem CID 46665139) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide
PubChem CID46665139
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)C
InChIInChI=1S/C13H17Cl2N3O2/c1-6(2)12(17-7(3)19)13(20)18-8-4-9(14)11(16)10(15)5-8/h4-6,12H,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYCADNWGFBJNNRZ-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.67
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

N-[1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 74292237
4-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoic acid
CID 61398318
ethyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 47064806
methyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 134003465
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 2426812
(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 25479876
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide
CID 47378185
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
methyl 3-[[(2R)-2-acetamido-3-methylbutanoyl]amino]benzoate
CID 40880276

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide (CID 46665139) is 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide is CC(=O)NC(C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)C.
What is the InChIKey of 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide?
The InChIKey is YCADNWGFBJNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-6(2)12(17-7(3)19)13(20)18-8-4-9(14)11(16)10(15)5-8/h4-6,12H,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide?
2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide has a molecular weight of 318.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 46665139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).