5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide

C13H17BrClNO2 — CID 60533216

IUPAC5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
SMILESCC(C)COCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-9(2)8-18-6-5-16-13(17)11-7-10(14)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyXEFRKVLRXRLNAS-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.50
Rot. Bonds6

About 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide

5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide (PubChem CID 60533216) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
PubChem CID60533216
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
SMILESCC(C)COCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-9(2)8-18-6-5-16-13(17)11-7-10(14)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyXEFRKVLRXRLNAS-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
2-chloro-N-[2-(3-methylbutoxy)ethyl]-5-sulfanylbenzamide
CID 107027369
4-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451573
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide (CID 60533216) is 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide is CC(C)COCCNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide?
The InChIKey is XEFRKVLRXRLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-9(2)8-18-6-5-16-13(17)11-7-10(14)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide?
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide is sourced from PubChem (CID 60533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).