N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide

C12H16Cl2N2O — CID 62839661

IUPACN-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-15-8(2)4-12(17)16-11-6-9(13)5-10(14)7-11/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyBNTAJDSYYFTKHZ-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.32
Rot. Bonds5

About N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide

N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide (PubChem CID 62839661) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
PubChem CID62839661
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-15-8(2)4-12(17)16-11-6-9(13)5-10(14)7-11/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyBNTAJDSYYFTKHZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
CID 114073216
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
2-amino-4-(3,5-dichloroanilino)-4-oxobutanoic acid
CID 91337072
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide (CID 62839661) is N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide?
The InChIKey is BNTAJDSYYFTKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-15-8(2)4-12(17)16-11-6-9(13)5-10(14)7-11/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide?
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide has a molecular weight of 275.18 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62839661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).