N-(3-bromobutyl)-2-chlorobenzamide

C11H13BrClNO — CID 114312542

IUPACN-(3-bromobutyl)-2-chlorobenzamide
SMILESCC(Br)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-8(12)6-7-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyBDFKWDUAYNQRPI-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.24
Rot. Bonds4

About N-(3-bromobutyl)-2-chlorobenzamide

N-(3-bromobutyl)-2-chlorobenzamide (PubChem CID 114312542) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-(3-bromobutyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-2-chlorobenzamide
PubChem CID114312542
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-(3-bromobutyl)-2-chlorobenzamide
SMILESCC(Br)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-8(12)6-7-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyBDFKWDUAYNQRPI-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.24
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

2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-undecylbenzamide
CID 3373978
4-bromo-N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563429
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-2-chlorobenzamide?
The IUPAC name of N-(3-bromobutyl)-2-chlorobenzamide (CID 114312542) is N-(3-bromobutyl)-2-chlorobenzamide.
What is the SMILES notation for N-(3-bromobutyl)-2-chlorobenzamide?
The canonical SMILES for N-(3-bromobutyl)-2-chlorobenzamide is CC(Br)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-(3-bromobutyl)-2-chlorobenzamide?
The InChIKey is BDFKWDUAYNQRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(12)6-7-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(3-bromobutyl)-2-chlorobenzamide?
N-(3-bromobutyl)-2-chlorobenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-2-chlorobenzamide is sourced from PubChem (CID 114312542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).