4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide

C13H18Cl2N2O — CID 80543571

IUPAC4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-8(5-6-16)13(18)17-9(2)10-3-4-11(14)12(15)7-10/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyPATKECKXWOYXNO-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide (PubChem CID 80543571) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
PubChem CID80543571
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-8(5-6-16)13(18)17-9(2)10-3-4-11(14)12(15)7-10/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyPATKECKXWOYXNO-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
3-amino-4-[1-(3,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 64896143
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249265
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide (CID 80543571) is 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide is CC(CCN)C(=O)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide?
The InChIKey is PATKECKXWOYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8(5-6-16)13(18)17-9(2)10-3-4-11(14)12(15)7-10/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide?
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide has a molecular weight of 289.21 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 80543571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).