3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide

C13H14BrClN2O2 — CID 113286150

IUPAC3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H14BrClN2O2/c1-17(7-12(18)16-11-2-3-11)13(19)8-4-9(14)6-10(15)5-8/h4-6,11H,2-3,7H2,1H3,(H,16,18)
InChIKeyNANMOVWVJSBAAC-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.45
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide

3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 113286150) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID113286150
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H14BrClN2O2/c1-17(7-12(18)16-11-2-3-11)13(19)8-4-9(14)6-10(15)5-8/h4-6,11H,2-3,7H2,1H3,(H,16,18)
InChIKeyNANMOVWVJSBAAC-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
CID 103826611
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide (CID 113286150) is 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NC1CC1)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is NANMOVWVJSBAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-17(7-12(18)16-11-2-3-11)13(19)8-4-9(14)6-10(15)5-8/h4-6,11H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 345.62 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 113286150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).