N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide

C14H20Cl2N2O — CID 62839086

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-17-9(2)7-14(19)18-10(3)11-5-6-12(15)13(16)8-11/h5-6,8-10,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyLSZJHKZKVBGAGI-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide

N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide (PubChem CID 62839086) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
PubChem CID62839086
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-17-9(2)7-14(19)18-10(3)11-5-6-12(15)13(16)8-11/h5-6,8-10,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyLSZJHKZKVBGAGI-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 81353743
5-[1-(3,4-dichlorophenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62965218
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(ethylamino)butanamide
CID 62838470
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
3-amino-4-[1-(3,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 64896143
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide (CID 62839086) is N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide?
The InChIKey is LSZJHKZKVBGAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-17-9(2)7-14(19)18-10(3)11-5-6-12(15)13(16)8-11/h5-6,8-10,17H,4,7H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide?
N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide has a molecular weight of 303.23 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62839086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).