2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide

C12H15Cl2N3O2 — CID 60847585

IUPAC2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c13-8-2-1-7(9(14)5-8)3-4-17-12(19)10(15)6-11(16)18/h1-2,5,10H,3-4,6,15H2,(H2,16,18)(H,17,19)
InChIKeyPUVMIPVHMPOJCC-UHFFFAOYSA-N
MW304.18 g/mol
LogP0.85
Rot. Bonds6

About 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide (PubChem CID 60847585) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
PubChem CID60847585
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c13-8-2-1-7(9(14)5-8)3-4-17-12(19)10(15)6-11(16)18/h1-2,5,10H,3-4,6,15H2,(H2,16,18)(H,17,19)
InChIKeyPUVMIPVHMPOJCC-UHFFFAOYSA-N
XLogP0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
CID 55080863
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
2-amino-N-[1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide
CID 21063803
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide (CID 60847585) is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide?
The InChIKey is PUVMIPVHMPOJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c13-8-2-1-7(9(14)5-8)3-4-17-12(19)10(15)6-11(16)18/h1-2,5,10H,3-4,6,15H2,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide?
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide has a molecular weight of 304.18 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide is sourced from PubChem (CID 60847585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).