3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide

C14H19BrClNO — CID 106117633

IUPAC3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
SMILESCCCC(CCCl)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-2-4-11(7-8-16)10-17-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11H,2,4,7-8,10H2,1H3,(H,17,18)
InChIKeyOSLVQVSXCVRKTA-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.22
Rot. Bonds7

About 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide

3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide (PubChem CID 106117633) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
PubChem CID106117633
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
SMILESCCCC(CCCl)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-2-4-11(7-8-16)10-17-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11H,2,4,7-8,10H2,1H3,(H,17,18)
InChIKeyOSLVQVSXCVRKTA-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
CID 106117750
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
CID 106117591

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide (CID 106117633) is 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide is CCCC(CCCl)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide?
The InChIKey is OSLVQVSXCVRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-2-4-11(7-8-16)10-17-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11H,2,4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide?
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide has a molecular weight of 332.67 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide is sourced from PubChem (CID 106117633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).