N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide

C14H19ClN2O2 — CID 78800713

IUPACN-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
SMILESCCCCN(C)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-4-8-17(2)13(18)10-16-14(19)11-6-5-7-12(15)9-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,19)
InChIKeyVNFWXCGDNYYWSE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.33
Rot. Bonds6

About N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide

N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 78800713) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
PubChem CID78800713
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
SMILESCCCCN(C)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-4-8-17(2)13(18)10-16-14(19)11-6-5-7-12(15)9-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,19)
InChIKeyVNFWXCGDNYYWSE-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide
CID 55961175
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 67832580
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide (CID 78800713) is N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide is CCCCN(C)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is VNFWXCGDNYYWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-4-8-17(2)13(18)10-16-14(19)11-6-5-7-12(15)9-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 78800713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).