3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide

C16H21BrN2O3 — CID 18120944

IUPAC3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCCCOCC1CC1
InChIInChI=1S/C16H21BrN2O3/c17-14-4-1-3-13(9-14)16(21)19-10-15(20)18-7-2-8-22-11-12-5-6-12/h1,3-4,9,12H,2,5-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyNCNYBSRRVTZTCN-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.11
Rot. Bonds9

About 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide

3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide (PubChem CID 18120944) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
PubChem CID18120944
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCCCOCC1CC1
InChIInChI=1S/C16H21BrN2O3/c17-14-4-1-3-13(9-14)16(21)19-10-15(20)18-7-2-8-22-11-12-5-6-12/h1,3-4,9,12H,2,5-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyNCNYBSRRVTZTCN-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
Benzamide, 3-bromo-N-allyl-
CID 2054582
3-bromo-N-cyclopropylbenzamide
CID 896152
N-(2-aminoethyl)-3-bromobenzamide
CID 10705366
3-bromo-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11631953
3-Bromo-N-hydrazinocarbonylmethyl-benzamide
CID 3116246
4-bromo-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11717535
3-bromo-N-[2-(4-morpholinyl)ethyl]benzamide
CID 669309
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 2976898
4-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 8195135
N-(2-aminoethyl)-2-bromobenzamide
CID 14977546

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide (CID 18120944) is 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCCCOCC1CC1.
What is the InChIKey of 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide?
The InChIKey is NCNYBSRRVTZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c17-14-4-1-3-13(9-14)16(21)19-10-15(20)18-7-2-8-22-11-12-5-6-12/h1,3-4,9,12H,2,5-8,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide has a molecular weight of 369.26 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18120944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).