4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide

C14H19BrClNO — CID 106355822

IUPAC4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCCl)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrClNO/c1-14(2,3)12(8-9-16)17-13(18)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChIKeyCZRAWCQPBATUJC-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.22
Rot. Bonds4

About 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide

4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106355822) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106355822
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCCl)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrClNO/c1-14(2,3)12(8-9-16)17-13(18)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChIKeyCZRAWCQPBATUJC-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethoxybenzamide
CID 106355606
3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355662
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridine-3-carboxamide
CID 106355742
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355672
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-hydroxy-4-methoxybenzamide
CID 106355864
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide
CID 106355828
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide (CID 106355822) is 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCCl)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is CZRAWCQPBATUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-14(2,3)12(8-9-16)17-13(18)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 332.67 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106355822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).