N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide

C14H18Cl2N2O2 — CID 156846570

IUPACN-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(CC(N)=O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-18(8-13(17)19)14(20)11-7-10(15)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,19)
InChIKeySEFSHZNHEVIVFF-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.97
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide

N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide (PubChem CID 156846570) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide
PubChem CID156846570
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(CC(N)=O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-18(8-13(17)19)14(20)11-7-10(15)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,19)
InChIKeySEFSHZNHEVIVFF-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
N-(2-amino-2-oxoethyl)-4-chloro-3-methyl-N-(2-methylpropyl)benzamide
CID 91659506
N,N-bis(2-amino-2-oxoethyl)-5-chloro-2-nitrobenzamide
CID 62923763
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide
CID 106501052
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
5-chloro-2-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62494542

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide (CID 156846570) is N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide is CC(C)CCN(CC(N)=O)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide?
The InChIKey is SEFSHZNHEVIVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-18(8-13(17)19)14(20)11-7-10(15)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide?
N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 156846570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).