N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide

C14H19BrN2O2 — CID 111858986

IUPACN-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(O)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-17(8-13(18)10-6-7-10)9-14(19)16-12-5-3-2-4-11(12)15/h2-5,10,13,18H,6-9H2,1H3,(H,16,19)
InChIKeyUGMRMJFZGZTCJT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.09
Rot. Bonds6

About N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide

N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide (PubChem CID 111858986) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
PubChem CID111858986
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(O)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-17(8-13(18)10-6-7-10)9-14(19)16-12-5-3-2-4-11(12)15/h2-5,10,13,18H,6-9H2,1H3,(H,16,19)
InChIKeyUGMRMJFZGZTCJT-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859004
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 111858807
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(2-bromophenyl)acetamide
CID 54991682
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide (CID 111858986) is N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Br)CC(O)C1CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide?
The InChIKey is UGMRMJFZGZTCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(8-13(18)10-6-7-10)9-14(19)16-12-5-3-2-4-11(12)15/h2-5,10,13,18H,6-9H2,1H3,(H,16,19).
What are the key properties of N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide?
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide is sourced from PubChem (CID 111858986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).