N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide

C15H20BrN3O2 — CID 113062891

IUPACN-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(Br)cc1C
InChIInChI=1S/C15H20BrN3O2/c1-10-9-12(16)3-6-14(10)19(11(2)20)8-7-17-15(21)18-13-4-5-13/h3,6,9,13H,4-5,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyOSPJVVCATOXLOQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.57
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide

N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (PubChem CID 113062891) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
PubChem CID113062891
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(Br)cc1C
InChIInChI=1S/C15H20BrN3O2/c1-10-9-12(16)3-6-14(10)19(11(2)20)8-7-17-15(21)18-13-4-5-13/h3,6,9,13H,4-5,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyOSPJVVCATOXLOQ-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
CID 113062870
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
3-(N-acetyl-4-bromo-2-methylanilino)-N-butylpropanamide
CID 113132728
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
3-(N-acetyl-4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 113132727
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (CID 113062891) is N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC1CC1)c1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The InChIKey is OSPJVVCATOXLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10-9-12(16)3-6-14(10)19(11(2)20)8-7-17-15(21)18-13-4-5-13/h3,6,9,13H,4-5,7-8H2,1-2H3,(H2,17,18,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide has a molecular weight of 354.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113062891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).